CID 45032346

2-(methylamino)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CNC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C5H6N2O2S/c1-6-5-7-3(2-10-5)4(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKey
NNIZZJACYYYSFG-UHFFFAOYSA-N
Compound name
2-(methylamino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 138.2
[M-H]- 157.00772 131.2
[M+NH4]+ 176.04882 150.4
[M+K]+ 196.97816 136.3
[M+H-H2O]+ 141.01226 123.6
[M+HCOO]- 203.01320 148.4
[M+CH3COO]- 217.02885 173.1
[M+Na-2H]- 178.98967 131.9
[M]+ 158.01445 130.5
[M]- 158.01555 130.5
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

patents stripe