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]+ 193.02776 137.0
[M+Na]+ 215.00970 144.4
[M-H]- 191.01320 138.2
[M+NH4]+ 210.05430 156.4
[M+K]+ 230.98364 143.4
[M+H-H2O]+ 175.01774 131.4
[M+HCOO]- 237.01868 153.7
[M+CH3COO]- 251.03433 178.6
[M+Na-2H]- 212.99515 137.5
[M]+ 192.01993 137.9
[M]- 192.02103 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.