CID 459112

2-imino-4-oxo-3-thiazolidineacetic acid

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
C1C(=O)N(C(=N)S1)CC(=O)O
InChI
InChI=1S/C5H6N2O3S/c6-5-7(1-4(9)10)3(8)2-11-5/h6H,1-2H2,(H,9,10)
InChIKey
ZPPQJUMIRXLSRR-UHFFFAOYSA-N
Compound name
2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 133.7
[M+Na]+ 196.99914 141.7
[M-H]- 173.00264 135.1
[M+NH4]+ 192.04374 153.9
[M+K]+ 212.97308 139.5
[M+H-H2O]+ 157.00718 128.3
[M+HCOO]- 219.00812 150.4
[M+CH3COO]- 233.02377 175.5
[M+Na-2H]- 194.98459 134.0
[M]+ 174.00937 132.5
[M]- 174.01047 132.5
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.