PubChemLite - Fmoc-ser(tbu)-oh (C22H25NO5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

InChIKey

REITVGIIZHFVGU-IBGZPJMESA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic 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]+	384.18056	190.4
[M+Na]+	406.16250	198.7
[M+NH4]+	401.20710	195.9
[M+K]+	422.13644	196.3
[M-H]-	382.16600	190.4
[M+Na-2H]-	404.14795	192.2
[M]+	383.17273	191.2
[M]-	383.17383	191.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

384.18056

190.4

[M+Na]+

406.16250

198.7

[M+NH4]+

401.20710

195.9

[M+K]+

422.13644

196.3

[M-H]-

382.16600

190.4

[M+Na-2H]-

404.14795

192.2

[M]+

383.17273

191.2

[M]-

383.17383

191.2

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

Fmoc-ser(tbu)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe