CID 23020345

2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H15NO2S
SMILES
CC1=C(SC(=N1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C11H15NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKey
JIDVCEPMJHOXPB-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

225.08235 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.089626 150.1
[M+Na]+ 248.071568 156.6
[M-H]- 224.075074 154.1
[M+NH4]+ 243.116173 168.6
[M+K]+ 264.045508 153.5
[M+H-H2O]+ 208.079610 143.9
[M+HCOO]- 270.080551 163.7
[M+CH3COO]- 284.096201 184.1
[M+Na-2H]- 246.057016 148.3
[M]+ 225.08180142 148.2
[M]- 225.08289858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe