CID 317675

17429-36-6

Structural Information

Molecular Formula
C13H14O
SMILES
CC1(CCC(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H14O/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKey
NTASQMWLMVNJSS-UHFFFAOYSA-N
Compound name
4-methyl-4-phenylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

186.10446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 141.7
[M+Na]+ 209.09368 156.3
[M+NH4]+ 204.13828 153.2
[M+K]+ 225.06762 146.0
[M-H]- 185.09718 146.9
[M+Na-2H]- 207.07913 152.8
[M]+ 186.10391 145.6
[M]- 186.10501 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe