CID 22724304

4-(cyclopentyloxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C13H16O4
SMILES
COC1=C(C=CC(=C1)C(=O)O)OC2CCCC2
InChI
InChI=1S/C13H16O4/c1-16-12-8-9(13(14)15)6-7-11(12)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKey
UDNXKKGEMXXJBQ-UHFFFAOYSA-N
Compound name
4-cyclopentyloxy-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

236.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 152.9
[M+Na]+ 259.09408 163.1
[M+NH4]+ 254.13868 160.2
[M+K]+ 275.06802 159.8
[M-H]- 235.09758 154.8
[M+Na-2H]- 257.07953 157.8
[M]+ 236.10431 154.5
[M]- 236.10541 154.5
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