PubChemLite - L-cystine (C6H12N2O4S2)

Structural Information

Molecular Formula

C₆H₁₂N₂O₄S₂

SMILES

C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

InChIKey

LEVWYRKDKASIDU-IMJSIDKUSA-N

Compound name

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]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]+	241.03113	149.3
[M+Na]+	263.01307	151.5
[M+NH4]+	258.05767	153.5
[M+K]+	278.98701	148.3
[M-H]-	239.01657	145.6
[M+Na-2H]-	260.99852	146.8
[M]+	240.02330	148.6
[M]-	240.02440	148.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

241.03113

149.3

[M+Na]+

263.01307

151.5

[M+NH4]+

258.05767

153.5

[M+K]+

278.98701

148.3

[M-H]-

239.01657

145.6

[M+Na-2H]-

260.99852

146.8

[M]+

240.02330

148.6

[M]-

240.02440

148.6

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

L-cystine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe