CID 54595590

2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CC1NC2=NC=C(S2)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12-5)9-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKey
XBDIVKWPKGCLKB-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

184.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 132.6
[M+Na]+ 207.019868 142.4
[M-H]- 183.023374 138.1
[M+NH4]+ 202.064473 147.7
[M+K]+ 222.993808 138.4
[M+H-H2O]+ 167.027910 126.3
[M+HCOO]- 229.028851 151.7
[M+CH3COO]- 243.044501 181.2
[M+Na-2H]- 205.005316 135.3
[M]+ 184.03010142 135.8
[M]- 184.03119858 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

patents stripe