CID 5368427

6-phenylhex-3-en-2-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)/C=C/CCC1=CC=CC=C1
InChI
InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+
InChIKey
PHEPHOADHFLZJS-FNORWQNLSA-N
Compound name
(E)-6-phenylhex-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

174.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 138.7
[M+Na]+ 197.093678 145.3
[M-H]- 173.097184 142.0
[M+NH4]+ 192.138283 159.0
[M+K]+ 213.067618 142.5
[M+H-H2O]+ 157.101720 132.9
[M+HCOO]- 219.102661 162.0
[M+CH3COO]- 233.118311 180.9
[M+Na-2H]- 195.079126 144.2
[M]+ 174.10391142 139.1
[M]- 174.10500858 139.1
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