CID 108362

Einecs 259-819-9

Structural Information

Molecular Formula
C17H26O
SMILES
CC(=O)C1CCC(=C)C2CC(C2CCC1=C)(C)C
InChI
InChI=1S/C17H26O/c1-11-7-9-16-15(10-17(16,4)5)12(2)6-8-14(11)13(3)18/h14-16H,1-2,6-10H2,3-5H3
InChIKey
CWEDHDMWROAFQO-UHFFFAOYSA-N
Compound name
1-(10,10-dimethyl-2,6-dimethylidene-5-bicyclo[7.2.0]undecanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

246.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 147.7
[M+Na]+ 269.18758 149.0
[M+NH4]+ 264.23218 149.0
[M+K]+ 285.16152 149.4
[M-H]- 245.19108 147.9
[M+Na-2H]- 267.17303 149.7
[M]+ 246.19781 147.8
[M]- 246.19891 147.8
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