CID 3377706

61994-15-8

Structural Information

Molecular Formula
C16H18O
SMILES
CC1CCCC(=CC=CC2=CC=CC=C2)C1=O
InChI
InChI=1S/C16H18O/c1-13-7-5-11-15(16(13)17)12-6-10-14-8-3-2-4-9-14/h2-4,6,8-10,12-13H,5,7,11H2,1H3
InChIKey
QSHOZLDDTDFAGY-UHFFFAOYSA-N
Compound name
2-cinnamylidene-6-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14305 152.5
[M+Na]+ 249.12499 158.1
[M-H]- 225.12849 158.4
[M+NH4]+ 244.16959 170.6
[M+K]+ 265.09893 153.2
[M+H-H2O]+ 209.13303 145.5
[M+HCOO]- 271.13397 172.8
[M+CH3COO]- 285.14962 189.6
[M+Na-2H]- 247.11044 155.2
[M]+ 226.13522 147.9
[M]- 226.13632 147.9
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

No patent data available for this compound.