CID 86886

3,5-hexadien-2-one, 3-methyl-6-phenyl-

Structural Information

Molecular Formula
C13H14O
SMILES
CC(=CC=CC1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C13H14O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKey
CGIJXXFGNLODHX-UHFFFAOYSA-N
Compound name
3-methyl-6-phenylhexa-3,5-dien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

186.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 142.2
[M+Na]+ 209.09368 148.5
[M-H]- 185.09718 145.4
[M+NH4]+ 204.13828 161.9
[M+K]+ 225.06762 145.3
[M+H-H2O]+ 169.10172 136.4
[M+HCOO]- 231.10266 164.4
[M+CH3COO]- 245.11831 183.2
[M+Na-2H]- 207.07913 145.9
[M]+ 186.10391 141.5
[M]- 186.10501 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