CID 23404934

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

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CCC(CC1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C10H13NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKey
SPAVOOMEYUWSIW-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

211.0667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 145.8
[M+Na]+ 234.05592 155.5
[M+NH4]+ 229.10052 154.2
[M+K]+ 250.02986 150.0
[M-H]- 210.05942 147.9
[M+Na-2H]- 232.04137 150.4
[M]+ 211.06615 148.0
[M]- 211.06725 148.0
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

patents stripe