CID 188540

2-(hydroxymethyl)-3-nitroso-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H8N2O4S
SMILES
C1C(N(C(S1)CO)N=O)C(=O)O
InChI
InChI=1S/C5H8N2O4S/c8-1-4-7(6-11)3(2-12-4)5(9)10/h3-4,8H,1-2H2,(H,9,10)
InChIKey
CPPXAGGLWBDZLN-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-3-nitroso-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.02048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027756 137.0
[M+Na]+ 215.009698 144.4
[M-H]- 191.013204 138.2
[M+NH4]+ 210.054303 156.4
[M+K]+ 230.983638 143.4
[M+H-H2O]+ 175.017740 131.4
[M+HCOO]- 237.018681 153.7
[M+CH3COO]- 251.034331 178.6
[M+Na-2H]- 212.995146 137.5
[M]+ 192.01993142 137.9
[M]- 192.02102858 137.9
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

No patent data available for this compound.