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 148.9
[M+Na]+ 269.18758 160.3
[M-H]- 245.19108 153.0
[M+NH4]+ 264.23218 153.4
[M+K]+ 285.16152 155.0
[M+H-H2O]+ 229.19562 145.2
[M+HCOO]- 291.19656 155.0
[M+CH3COO]- 305.21221 156.6
[M+Na-2H]- 267.17303 159.4
[M]+ 246.19781 154.2
[M]- 246.19891 154.2
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