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
1
Annotation Hits

3
References

614
Patents

164.02556 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03284 133.0
[M+Na]+ 187.01478 138.2
[M-H]- 163.01828 131.4
[M+NH4]+ 182.05938 151.9
[M+K]+ 202.98872 137.3
[M+H-H2O]+ 147.02282 127.3
[M+HCOO]- 209.02376 149.4
[M+CH3COO]- 223.03941 177.8
[M+Na-2H]- 185.00023 133.1
[M]+ 164.02501 131.7
[M]- 164.02611 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe