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

literature stripe

Patent stripe

patents stripe