CID 356424

13330-87-5

Structural Information

Molecular Formula
C4H7NO3S
SMILES
C(C(=O)N)SCC(=O)O
InChI
InChI=1S/C4H7NO3S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKey
VUPWPHSXGCYTPV-UHFFFAOYSA-N
Compound name
2-(2-amino-2-oxoethyl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

149.01466 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 129.9
[M+Na]+ 172.00388 136.8
[M+NH4]+ 167.04848 136.2
[M+K]+ 187.97782 132.4
[M-H]- 148.00738 127.7
[M+Na-2H]- 169.98933 130.7
[M]+ 149.01411 130.1
[M]- 149.01521 130.1
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