CID 238964

33176-41-9

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
C(C1C(=O)N=C(S1)N)C(=O)O
InChI
InChI=1S/C5H6N2O3S/c6-5-7-4(10)2(11-5)1-3(8)9/h2H,1H2,(H,8,9)(H2,6,7,10)
InChIKey
IFUXBSJTQXUMSX-UHFFFAOYSA-N
Compound name
2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.00992 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.017196 133.2
[M+Na]+ 196.999138 141.9
[M-H]- 173.002644 134.3
[M+NH4]+ 192.043743 153.2
[M+K]+ 212.973078 139.7
[M+H-H2O]+ 157.007180 127.6
[M+HCOO]- 219.008121 150.5
[M+CH3COO]- 233.023771 175.4
[M+Na-2H]- 194.984586 133.3
[M]+ 174.00937142 133.0
[M]- 174.01046858 133.0
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

patents stripe