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

14
Patents

200.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 144.4
[M+Na]+ 223.109338 150.6
[M-H]- 199.112844 150.6
[M+NH4]+ 218.153943 163.6
[M+K]+ 239.083278 146.7
[M+H-H2O]+ 183.117380 137.8
[M+HCOO]- 245.118321 165.2
[M+CH3COO]- 259.133971 185.0
[M+Na-2H]- 221.094786 148.2
[M]+ 200.11957142 140.0
[M]- 200.12066858 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