CID 45494574

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

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CC1NC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-6(11)5-3-12-7(9-5)8-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKey
UDCFYQZUJUDUKW-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 132.6
[M+Na]+ 207.01987 142.4
[M-H]- 183.02337 138.1
[M+NH4]+ 202.06447 147.7
[M+K]+ 222.99381 138.4
[M+H-H2O]+ 167.02791 126.3
[M+HCOO]- 229.02885 151.7
[M+CH3COO]- 243.04450 181.2
[M+Na-2H]- 205.00532 135.3
[M]+ 184.03010 135.8
[M]- 184.03120 135.8
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.