CID 82026937

1-(3,5-dimethoxyphenyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C14H18O4
SMILES
COC1=CC(=CC(=C1)C2(CCCC2)C(=O)O)OC
InChI
InChI=1S/C14H18O4/c1-17-11-7-10(8-12(9-11)18-2)14(13(15)16)5-3-4-6-14/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKey
OUUWSGCCBHYUCI-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxyphenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 156.9
[M+Na]+ 273.10973 167.0
[M+NH4]+ 268.15433 165.5
[M+K]+ 289.08367 161.9
[M-H]- 249.11323 158.7
[M+Na-2H]- 271.09518 163.2
[M]+ 250.11996 158.8
[M]- 250.12106 158.8
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.