CID 23617660

Schembl525544

Structural Information

Molecular Formula
C4H8N2O3S
SMILES
C([C@@H](C(=O)OC(=O)N)N)S
InChI
InChI=1S/C4H8N2O3S/c5-2(1-10)3(7)9-4(6)8/h2,10H,1,5H2,(H2,6,8)/t2-/m0/s1
InChIKey
WXXWDGOWESILMN-REOHCLBHSA-N
Compound name
carbamoyl (2R)-2-amino-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

164.02556 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.032836 133.2
[M+Na]+ 187.014778 138.9
[M-H]- 163.018284 132.6
[M+NH4]+ 182.059383 152.7
[M+K]+ 202.988718 138.6
[M+H-H2O]+ 147.022820 127.3
[M+HCOO]- 209.023761 150.5
[M+CH3COO]- 223.039411 179.0
[M+Na-2H]- 185.000226 132.7
[M]+ 164.02501142 132.7
[M]- 164.02610858 132.7
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

patents stripe