CID 39874

3-cyclohexyl-5-methoxyphenylacetic acid

Structural Information

Molecular Formula
C15H20O3
SMILES
COC1=CC(=CC(=C1)C2CCCCC2)CC(=O)O
InChI
InChI=1S/C15H20O3/c1-18-14-8-11(9-15(16)17)7-13(10-14)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,16,17)
InChIKey
AHDHGUHGYWNZNG-UHFFFAOYSA-N
Compound name
2-(3-cyclohexyl-5-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 157.4
[M+Na]+ 271.130468 161.7
[M-H]- 247.133974 161.9
[M+NH4]+ 266.175073 173.6
[M+K]+ 287.104408 159.0
[M+H-H2O]+ 231.138510 150.3
[M+HCOO]- 293.139451 175.4
[M+CH3COO]- 307.155101 192.0
[M+Na-2H]- 269.115916 158.9
[M]+ 248.14070142 154.4
[M]- 248.14179858 154.4
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

No patent data available for this compound.