CID 75449177

4-cyclopentyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1CCC(C1)C2=C(SC=N2)C(=O)O
InChI
InChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKey
JAMCGOPCUMNCPA-UHFFFAOYSA-N
Compound name
4-cyclopentyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 143.6
[M+Na]+ 220.04028 151.3
[M-H]- 196.04378 148.3
[M+NH4]+ 215.08488 165.0
[M+K]+ 236.01422 149.1
[M+H-H2O]+ 180.04832 138.0
[M+HCOO]- 242.04926 160.2
[M+CH3COO]- 256.06491 177.0
[M+Na-2H]- 218.02573 141.8
[M]+ 197.05051 143.0
[M]- 197.05161 143.0
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.