CID 12734515

2-(cyclohex-3-en-1-yl)-1-phenylethan-1-one

Structural Information

Molecular Formula
C14H16O
SMILES
C1CC(CC=C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-3,5-6,9-10,12H,4,7-8,11H2
InChIKey
GROFHJUZKRRTAP-UHFFFAOYSA-N
Compound name
2-cyclohex-3-en-1-yl-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.12012 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 146.6
[M+Na]+ 223.10934 160.1
[M+NH4]+ 218.15394 156.3
[M+K]+ 239.08328 151.9
[M-H]- 199.11284 151.5
[M+Na-2H]- 221.09479 155.7
[M]+ 200.11957 149.9
[M]- 200.12067 149.9
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

No patent data available for this compound.