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]+ 198.058336 143.6
[M+Na]+ 220.040278 151.3
[M-H]- 196.043784 148.3
[M+NH4]+ 215.084883 165.0
[M+K]+ 236.014218 149.1
[M+H-H2O]+ 180.048320 138.0
[M+HCOO]- 242.049261 160.2
[M+CH3COO]- 256.064911 177.0
[M+Na-2H]- 218.025726 141.8
[M]+ 197.05051142 143.0
[M]- 197.05160858 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.