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

57
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 146.0
[M+Na]+ 234.05592 152.1
[M-H]- 210.05942 149.8
[M+NH4]+ 229.10052 164.8
[M+K]+ 250.02986 149.3
[M+H-H2O]+ 194.06396 139.7
[M+HCOO]- 256.06490 160.1
[M+CH3COO]- 270.08055 180.0
[M+Na-2H]- 232.04137 145.4
[M]+ 211.06615 143.3
[M]- 211.06725 143.3
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