CID 1530286

Methyl 4-(cyclopentyloxy)benzoate

Structural Information

Molecular Formula
C13H16O3
SMILES
COC(=O)C1=CC=C(C=C1)OC2CCCC2
InChI
InChI=1S/C13H16O3/c1-15-13(14)10-6-8-12(9-7-10)16-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKey
LBACDACLAMNTQI-UHFFFAOYSA-N
Compound name
methyl 4-cyclopentyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.10994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 149.4
[M+Na]+ 243.099158 155.1
[M-H]- 219.102664 155.7
[M+NH4]+ 238.143763 169.2
[M+K]+ 259.073098 153.6
[M+H-H2O]+ 203.107200 142.8
[M+HCOO]- 265.108141 171.9
[M+CH3COO]- 279.123791 186.2
[M+Na-2H]- 241.084606 151.6
[M]+ 220.10939142 149.3
[M]- 220.11048858 149.3
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