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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.11174	143.8
[M+Na]+	209.09368	156.1
[M+NH4]+	204.13828	151.9
[M+K]+	225.06762	148.9
[M-H]-	185.09718	145.5
[M+Na-2H]-	207.07913	150.1
[M]+	186.10391	145.9
[M]-	186.10501	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe