CID 10702716

5-methyl-6-phenylhexa-3,5-dien-2-one

Structural Information

Molecular Formula
C13H14O
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/C(=O)C
InChI
InChI=1S/C13H14O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-10H,1-2H3/b9-8+,11-10+
InChIKey
UJNDFWXZGPICAE-BNFZFUHLSA-N
Compound name
(3E,5E)-5-methyl-6-phenylhexa-3,5-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 142.2
[M+Na]+ 209.093678 148.5
[M-H]- 185.097184 145.4
[M+NH4]+ 204.138283 161.9
[M+K]+ 225.067618 145.3
[M+H-H2O]+ 169.101720 136.4
[M+HCOO]- 231.102661 164.4
[M+CH3COO]- 245.118311 183.2
[M+Na-2H]- 207.079126 145.9
[M]+ 186.10391142 141.5
[M]- 186.10500858 141.5
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