CID 152440

22131-51-7

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CC1=NSC(=C1C(=O)O)N
InChI
InChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
InChIKey
AQBUEVXOULPURO-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,2-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

25
Patents

158.015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 129.4
[M+Na]+ 181.00422 139.1
[M-H]- 157.00772 131.0
[M+NH4]+ 176.04882 150.4
[M+K]+ 196.97816 136.8
[M+H-H2O]+ 141.01226 124.0
[M+HCOO]- 203.01320 147.8
[M+CH3COO]- 217.02885 173.7
[M+Na-2H]- 178.98967 130.3
[M]+ 158.01445 129.9
[M]- 158.01555 129.9
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

patents stripe