CID 83392

2-cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-

Structural Information

Molecular Formula
C13H14O
SMILES
CC1=C(C(=O)CC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H14O/c1-10-7-8-13(14)12(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChIKey
CCXVNJKURYRXRY-UHFFFAOYSA-N
Compound name
2-benzyl-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

186.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 139.9
[M+Na]+ 209.093678 148.1
[M-H]- 185.097184 147.0
[M+NH4]+ 204.138283 161.7
[M+K]+ 225.067618 144.8
[M+H-H2O]+ 169.101720 133.9
[M+HCOO]- 231.102661 164.5
[M+CH3COO]- 245.118311 182.7
[M+Na-2H]- 207.079126 143.7
[M]+ 186.10391142 139.6
[M]- 186.10500858 139.6
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