CID 82026937

1176042-70-8

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]+ 251.127786 155.9
[M+Na]+ 273.109728 162.5
[M-H]- 249.113234 161.4
[M+NH4]+ 268.154333 176.0
[M+K]+ 289.083668 160.6
[M+H-H2O]+ 233.117770 150.3
[M+HCOO]- 295.118711 176.8
[M+CH3COO]- 309.134361 190.1
[M+Na-2H]- 271.095176 157.9
[M]+ 250.11996142 156.6
[M]- 250.12105858 156.6
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.