CID 16769576

54802-31-2

Structural Information

Molecular Formula
C15H20O4
SMILES
COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)O)OC
InChI
InChI=1S/C15H20O4/c1-18-12-7-6-11(10-13(12)19-2)15(14(16)17)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKey
ILEPVTLKPJQCBX-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.9
[M+Na]+ 287.12539 172.0
[M+NH4]+ 282.16999 169.7
[M+K]+ 303.09933 164.5
[M-H]- 263.12889 163.6
[M+Na-2H]- 285.11084 168.0
[M]+ 264.13562 163.2
[M]- 264.13672 163.2
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.