CID 14937024

3-(benzyloxy)cyclopentan-1-one

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(=O)CC1OCC2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
JUSLILFQZMQLMA-UHFFFAOYSA-N
Compound name
3-phenylmethoxycyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

190.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.0
[M+Na]+ 213.08860 147.5
[M-H]- 189.09210 147.4
[M+NH4]+ 208.13320 162.1
[M+K]+ 229.06254 145.2
[M+H-H2O]+ 173.09664 134.6
[M+HCOO]- 235.09758 164.6
[M+CH3COO]- 249.11323 181.0
[M+Na-2H]- 211.07405 145.0
[M]+ 190.09883 139.8
[M]- 190.09993 139.8
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