CID 222343

Cyclopentyl benzoate

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC(C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2
InChIKey
MLOUXCNEZWLVJE-UHFFFAOYSA-N
Compound name
cyclopentyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

190.09938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.3
[M+Na]+ 213.08860 147.7
[M-H]- 189.09210 148.5
[M+NH4]+ 208.13320 163.1
[M+K]+ 229.06254 145.8
[M+H-H2O]+ 173.09664 135.8
[M+HCOO]- 235.09758 165.0
[M+CH3COO]- 249.11323 180.0
[M+Na-2H]- 211.07405 145.7
[M]+ 190.09883 140.0
[M]- 190.09993 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe