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

19
Patents

236.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 151.7
[M+Na]+ 259.094078 157.7
[M-H]- 235.097584 157.0
[M+NH4]+ 254.138683 170.3
[M+K]+ 275.068018 155.9
[M+H-H2O]+ 219.102120 145.5
[M+HCOO]- 281.103061 172.9
[M+CH3COO]- 295.118711 187.5
[M+Na-2H]- 257.079526 153.0
[M]+ 236.10431142 151.7
[M]- 236.10540858 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