PubChemLite - Fmoc-4-(neopentyloxysulfonyl)-abu-oh (C24H29NO7S)

Structural Information

Molecular Formula

SMILES

CC(C)(C)COS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C24H29NO7S/c1-24(2,3)15-32-33(29,30)13-12-21(22(26)27)25-23(28)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,25,28)(H,26,27)/t21-/m0/s1

InChIKey

TYNFNWKIJOXRLL-NRFANRHFSA-N

Compound name

(2S)-4-(2,2-dimethylpropoxysulfonyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.17375	213.1
[M+Na]+	498.15569	215.9
[M-H]-	474.15919	215.7
[M+NH4]+	493.20029	223.6
[M+K]+	514.12963	213.8
[M+H-H2O]+	458.16373	207.2
[M+HCOO]-	520.16467	223.0
[M+CH3COO]-	534.18032	232.7
[M+Na-2H]-	496.14114	215.2
[M]+	475.16592	221.3
[M]-	475.16702	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.17375

213.1

[M+Na]+

498.15569

215.9

[M-H]-

474.15919

215.7

[M+NH4]+

493.20029

223.6

[M+K]+

514.12963

213.8

[M+H-H2O]+

458.16373

207.2

[M+HCOO]-

520.16467

223.0

[M+CH3COO]-

534.18032

232.7

[M+Na-2H]-

496.14114

215.2

[M]+

475.16592

221.3

[M]-

475.16702

221.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fmoc-4-(neopentyloxysulfonyl)-abu-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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