CID 75355439

2-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CC1=C(SC(=N1)CC2CC2)C(=O)O
InChI
InChI=1S/C9H11NO2S/c1-5-8(9(11)12)13-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKey
JPKJSCGSMQKCFW-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-4-methyl-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 145.1
[M+Na]+ 220.04028 156.8
[M+NH4]+ 215.08488 153.6
[M+K]+ 236.01422 153.0
[M-H]- 196.04378 153.3
[M+Na-2H]- 218.02573 151.7
[M]+ 197.05051 150.4
[M]- 197.05161 150.4
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.