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]+	372.126416	187.3
[M+Na]+	394.108358	192.2
[M-H]-	370.111864	190.6
[M+NH4]+	389.152963	202.6
[M+K]+	410.082298	188.0
[M+H-H2O]+	354.116400	181.0
[M+HCOO]-	416.117341	201.0
[M+CH3COO]-	430.132991	215.6
[M+Na-2H]-	392.093806	187.3
[M]+	371.11859142	192.5
[M]-	371.11968858	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

372.126416

187.3

[M+Na]+

394.108358

192.2

[M-H]-

370.111864

190.6

[M+NH4]+

389.152963

202.6

[M+K]+

410.082298

188.0

[M+H-H2O]+

354.116400

181.0

[M+HCOO]-

416.117341

201.0

[M+CH3COO]-

430.132991

215.6

[M+Na-2H]-

392.093806

187.3

[M]+

371.11859142

192.5

[M]-

371.11968858

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