PubChemLite - N-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-methionine (C20H21NO4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

InChIKey

BUBGAUHBELNDEW-SFHVURJKSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic 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]+	372.12642	187.3
[M+Na]+	394.10836	192.2
[M-H]-	370.11186	190.6
[M+NH4]+	389.15296	202.6
[M+K]+	410.08230	188.0
[M+H-H2O]+	354.11640	181.0
[M+HCOO]-	416.11734	201.0
[M+CH3COO]-	430.13299	215.6
[M+Na-2H]-	392.09381	187.3
[M]+	371.11859	192.5
[M]-	371.11969	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

372.12642

187.3

[M+Na]+

394.10836

192.2

[M-H]-

370.11186

190.6

[M+NH4]+

389.15296

202.6

[M+K]+

410.08230

188.0

[M+H-H2O]+

354.11640

181.0

[M+HCOO]-

416.11734

201.0

[M+CH3COO]-

430.13299

215.6

[M+Na-2H]-

392.09381

187.3

[M]+

371.11859

192.5

[M]-

371.11969

192.5

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

N-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-methionine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe