PubChemLite - Fmoc-l-beta-homolysine(boc) (C27H34N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H34N2O6/c1-27(2,3)35-25(32)28-15-9-8-10-18(16-24(30)31)29-26(33)34-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,18,23H,8-10,15-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t18-/m0/s1

InChIKey

SDBUQLGECIYUDT-SFHVURJKSA-N

Compound name

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic 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]+	483.24898	218.7
[M+Na]+	505.23092	219.3
[M-H]-	481.23442	221.0
[M+NH4]+	500.27552	228.2
[M+K]+	521.20486	217.1
[M+H-H2O]+	465.23896	211.1
[M+HCOO]-	527.23990	233.9
[M+CH3COO]-	541.25555	241.0
[M+Na-2H]-	503.21637	218.1
[M]+	482.24115	223.6
[M]-	482.24225	223.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.24898

218.7

[M+Na]+

505.23092

219.3

[M-H]-

481.23442

221.0

[M+NH4]+

500.27552

228.2

[M+K]+

521.20486

217.1

[M+H-H2O]+

465.23896

211.1

[M+HCOO]-

527.23990

233.9

[M+CH3COO]-

541.25555

241.0

[M+Na-2H]-

503.21637

218.1

[M]+

482.24115

223.6

[M]-

482.24225

223.6

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

Fmoc-l-beta-homolysine(boc)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe