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

224
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 133.7
[M+Na]+ 187.01478 139.0
[M+NH4]+ 182.05938 139.4
[M+K]+ 202.98872 135.8
[M-H]- 163.01828 131.4
[M+Na-2H]- 185.00023 134.0
[M]+ 164.02501 133.6
[M]- 164.02611 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.