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]+ 226.089626 150.4
[M+Na]+ 248.071568 156.1
[M-H]- 224.075074 154.0
[M+NH4]+ 243.116173 168.6
[M+K]+ 264.045508 153.0
[M+H-H2O]+ 208.079610 143.9
[M+HCOO]- 270.080551 164.1
[M+CH3COO]- 284.096201 183.0
[M+Na-2H]- 246.057016 149.3
[M]+ 225.08180142 148.1
[M]- 225.08289858 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