CID 23151680

1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H18O3
SMILES
COC1=CC=CC=C1C2(CCCCC2)C(=O)O
InChI
InChI=1S/C14H18O3/c1-17-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKey
KCMRNPRZCCSZOA-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.1256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 153.8
[M+Na]+ 257.11482 158.6
[M-H]- 233.11832 158.5
[M+NH4]+ 252.15942 172.3
[M+K]+ 273.08876 156.3
[M+H-H2O]+ 217.12286 147.3
[M+HCOO]- 279.12380 172.2
[M+CH3COO]- 293.13945 187.3
[M+Na-2H]- 255.10027 157.6
[M]+ 234.12505 150.4
[M]- 234.12615 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

patents stripe