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

3
Annotation Hits: 0
References: 3
Patents: 246.19836 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.205636	148.9
[M+Na]+	269.187578	160.3
[M-H]-	245.191084	153.0
[M+NH4]+	264.232183	153.4
[M+K]+	285.161518	155.0
[M+H-H2O]+	229.195620	145.2
[M+HCOO]-	291.196561	155.0
[M+CH3COO]-	305.212211	156.6
[M+Na-2H]-	267.173026	159.4
[M]+	246.19781142	154.2
[M]-	246.19890858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe