CID 9793848

S-nitrosocysteine

Structural Information

Molecular Formula

C₃H₆N₂O₃S

SMILES

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

InChI

InChI=1S/C3H6N2O3S/c4-2(3(6)7)1-9-5-8/h2H,1,4H2,(H,6,7)/t2-/m0/s1

InChIKey

XOWVFANEOZMPKG-REOHCLBHSA-N

Compound name

(2R)-2-amino-3-nitrososulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 478
References: 2370
Patents: 150.00992 Da
Monoisotopic Mass: -3.4
XlogP (predicted)

Profile

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]+	151.01720	127.4
[M+Na]+	172.99914	133.6
[M-H]-	149.00264	127.3
[M+NH4]+	168.04374	147.6
[M+K]+	188.97308	133.4
[M+H-H2O]+	133.00718	121.5
[M+HCOO]-	195.00812	146.7
[M+CH3COO]-	209.02377	177.0
[M+Na-2H]-	170.98459	129.6
[M]+	150.00937	128.3
[M]-	150.01047	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe