CID 151277

H-cys(carbamoyl)-oh

Structural Information

Molecular Formula

C₄H₈N₂O₃S

SMILES

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

InChI

InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1

InChIKey

YOAUVDYBDJTJJP-REOHCLBHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 315
Patents: 164.02556 Da
Monoisotopic Mass: -3.5
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]+	165.03284	133.6
[M+Na]+	187.01478	138.6
[M+NH4]+	182.05938	139.1
[M+K]+	202.98872	135.7
[M-H]-	163.01828	131.1
[M+Na-2H]-	185.00023	133.4
[M]+	164.02501	133.3
[M]-	164.02611	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe