CID 24278473

2-(2-cyclohexyl-1,3-thiazol-4-yl)acetic acid

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CCC(CC1)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C11H15NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKey
ORXQKYHMZPAPGT-UHFFFAOYSA-N
Compound name
2-(2-cyclohexyl-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.08235 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 150.4
[M+Na]+ 248.07157 156.1
[M-H]- 224.07507 154.0
[M+NH4]+ 243.11617 168.6
[M+K]+ 264.04551 153.0
[M+H-H2O]+ 208.07961 143.9
[M+HCOO]- 270.08055 164.1
[M+CH3COO]- 284.09620 183.0
[M+Na-2H]- 246.05702 149.3
[M]+ 225.08180 148.1
[M]- 225.08290 148.1
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