PubChemLite - Glutathione (C10H17N3O6S)

Structural Information

Molecular Formula

SMILES

C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N

InChI

InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChIKey

RWSXRVCMGQZWBV-WDSKDSINSA-N

Compound name

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic 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]+	308.09108	168.7
[M+Na]+	330.07302	169.0
[M-H]-	306.07652	164.3
[M+NH4]+	325.11762	179.8
[M+K]+	346.04696	168.4
[M+H-H2O]+	290.08106	161.1
[M+HCOO]-	352.08200	180.6
[M+CH3COO]-	366.09765	206.4
[M+Na-2H]-	328.05847	163.5
[M]+	307.08325	167.6
[M]-	307.08435	167.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

308.09108

168.7

[M+Na]+

330.07302

169.0

[M-H]-

306.07652

164.3

[M+NH4]+

325.11762

179.8

[M+K]+

346.04696

168.4

[M+H-H2O]+

290.08106

161.1

[M+HCOO]-

352.08200

180.6

[M+CH3COO]-

366.09765

206.4

[M+Na-2H]-

328.05847

163.5

[M]+

307.08325

167.6

[M]-

307.08435

167.6

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

Glutathione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe