CID 90546

N-carbamoyl-l-cysteine

Structural Information

Molecular Formula

C₄H₈N₂O₃S

SMILES

C([C@@H](C(=O)O)NC(=O)N)S

InChI

InChI=1S/C4H8N2O3S/c5-4(9)6-2(1-10)3(7)8/h2,10H,1H2,(H,7,8)(H3,5,6,9)/t2-/m0/s1

InChIKey

APFSAMXTZRYBKF-REOHCLBHSA-N

Compound name

(2R)-2-(carbamoylamino)-3-sulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 636
Patents: 164.02556 Da
Monoisotopic Mass: -0.2
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]+	165.032836	133.0
[M+Na]+	187.014778	138.2
[M-H]-	163.018284	131.4
[M+NH4]+	182.059383	151.9
[M+K]+	202.988718	137.3
[M+H-H2O]+	147.022820	127.3
[M+HCOO]-	209.023761	149.4
[M+CH3COO]-	223.039411	177.8
[M+Na-2H]-	185.000226	133.1
[M]+	164.02501142	131.7
[M]-	164.02610858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe