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

18
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 151.7
[M+Na]+ 259.09408 157.7
[M-H]- 235.09758 157.0
[M+NH4]+ 254.13868 170.3
[M+K]+ 275.06802 155.9
[M+H-H2O]+ 219.10212 145.5
[M+HCOO]- 281.10306 172.9
[M+CH3COO]- 295.11871 187.5
[M+Na-2H]- 257.07953 153.0
[M]+ 236.10431 151.7
[M]- 236.10541 151.7
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