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]+ 251.12779 155.9
[M+Na]+ 273.10973 162.5
[M-H]- 249.11323 161.4
[M+NH4]+ 268.15433 176.0
[M+K]+ 289.08367 160.6
[M+H-H2O]+ 233.11777 150.3
[M+HCOO]- 295.11871 176.8
[M+CH3COO]- 309.13436 190.1
[M+Na-2H]- 271.09518 157.9
[M]+ 250.11996 156.6
[M]- 250.12106 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.