CID 3063026

Mg 6843

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(C)(C(=O)O)OC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C16H22O3/c1-16(2,15(17)18)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)
InChIKey
SLXUGVRIPZZCIU-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-phenylcyclohexyl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.164176 161.6
[M+Na]+ 285.146118 165.0
[M-H]- 261.149624 165.8
[M+NH4]+ 280.190723 177.0
[M+K]+ 301.120058 162.5
[M+H-H2O]+ 245.154160 154.8
[M+HCOO]- 307.155101 177.7
[M+CH3COO]- 321.170751 194.2
[M+Na-2H]- 283.131566 164.2
[M]+ 262.15635142 158.2
[M]- 262.15744858 158.2
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.