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]+ 221.11722 149.4
[M+Na]+ 243.09916 155.1
[M-H]- 219.10266 155.7
[M+NH4]+ 238.14376 169.2
[M+K]+ 259.07310 153.6
[M+H-H2O]+ 203.10720 142.8
[M+HCOO]- 265.10814 171.9
[M+CH3COO]- 279.12379 186.2
[M+Na-2H]- 241.08461 151.6
[M]+ 220.10939 149.3
[M]- 220.11049 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