CID 23404934

923605-08-7

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: 64
Patents: 211.0667 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.073976	146.0
[M+Na]+	234.055918	152.1
[M-H]-	210.059424	149.8
[M+NH4]+	229.100523	164.8
[M+K]+	250.029858	149.3
[M+H-H2O]+	194.063960	139.7
[M+HCOO]-	256.064901	160.1
[M+CH3COO]-	270.080551	180.0
[M+Na-2H]-	232.041366	145.4
[M]+	211.06615142	143.3
[M]-	211.06724858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe