CID 165646219

1873275-19-4

Structural Information

Molecular Formula
C11H15NO3S
SMILES
C1CCC(CC1)OCC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H15NO3S/c13-11(14)9-7-16-10(12-9)6-15-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKey
AVAXPQYOPIEOKX-UHFFFAOYSA-N
Compound name
2-(cyclohexyloxymethyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07727 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 153.2
[M+Na]+ 264.06649 162.2
[M+NH4]+ 259.11109 160.9
[M+K]+ 280.04043 157.1
[M-H]- 240.06999 154.8
[M+Na-2H]- 262.05194 157.2
[M]+ 241.07672 155.1
[M]- 241.07782 155.1
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

No patent data available for this compound.