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]+ 227.143046 152.5
[M+Na]+ 249.124988 158.1
[M-H]- 225.128494 158.4
[M+NH4]+ 244.169593 170.6
[M+K]+ 265.098928 153.2
[M+H-H2O]+ 209.133030 145.5
[M+HCOO]- 271.133971 172.8
[M+CH3COO]- 285.149621 189.6
[M+Na-2H]- 247.110436 155.2
[M]+ 226.13522142 147.9
[M]- 226.13631858 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.