CID 6447003

2-piperonylidene-4-methylcyclohexanone

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1CCC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1
InChI
InChI=1S/C15H16O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10H,2,4,6,9H2,1H3/b12-7+
InChIKey
XPYZDCFXCMXPDU-KPKJPENVSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.3
[M+Na]+ 267.09916 166.9
[M+NH4]+ 262.14376 163.2
[M+K]+ 283.07310 162.2
[M-H]- 243.10266 160.7
[M+Na-2H]- 265.08461 158.5
[M]+ 244.10939 157.9
[M]- 244.11049 157.9
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.