CID 81979

1-(4-methoxyphenyl)cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C14H18O3
SMILES
COC1=CC=C(C=C1)C2(CCCCC2)C(=O)O
InChI
InChI=1S/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKey
JKJAJSWMKTWWJS-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

234.1256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 153.8
[M+Na]+ 257.114818 158.6
[M-H]- 233.118324 158.5
[M+NH4]+ 252.159423 172.3
[M+K]+ 273.088758 156.3
[M+H-H2O]+ 217.122860 147.3
[M+HCOO]- 279.123801 172.2
[M+CH3COO]- 293.139451 187.3
[M+Na-2H]- 255.100266 157.6
[M]+ 234.12505142 150.4
[M]- 234.12614858 150.4
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.