CID 6374970

2-methyl-6-(phenylmethylene)cyclohexan-1-one

Structural Information

Molecular Formula
C14H16O
SMILES
CC1CCC/C(=C/C2=CC=CC=C2)/C1=O
InChI
InChI=1S/C14H16O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/b13-10-
InChIKey
OOXAOPCNIYOINQ-RAXLEYEMSA-N
Compound name
(2Z)-2-benzylidene-6-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

200.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 144.4
[M+Na]+ 223.10934 150.6
[M-H]- 199.11284 150.6
[M+NH4]+ 218.15394 163.6
[M+K]+ 239.08328 146.7
[M+H-H2O]+ 183.11738 137.8
[M+HCOO]- 245.11832 165.2
[M+CH3COO]- 259.13397 185.0
[M+Na-2H]- 221.09479 148.2
[M]+ 200.11957 140.0
[M]- 200.12067 140.0
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