CID 61868364

2095396-58-8

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CC1CCC(CC1)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C12H17NO2S/c1-8-2-4-9(5-3-8)12-13-10(7-16-12)6-11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKey
OGOWPGWPMTXOEG-UHFFFAOYSA-N
Compound name
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 154.5
[M+Na]+ 262.08722 160.5
[M-H]- 238.09072 158.3
[M+NH4]+ 257.13182 172.4
[M+K]+ 278.06116 157.2
[M+H-H2O]+ 222.09526 148.1
[M+HCOO]- 284.09620 167.8
[M+CH3COO]- 298.11185 187.1
[M+Na-2H]- 260.07267 152.2
[M]+ 239.09745 152.9
[M]- 239.09855 152.9
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.