CID 91967

55987-49-0

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1=CCC(C=CCC(=C)C(CC1)C(=O)C)(C)C

InChI

InChI=1S/C17H26O/c1-13-8-9-16(15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,16H,2,7-9,12H2,1,3-5H3

InChIKey

YRFMWVJKSSLTAZ-UHFFFAOYSA-N

Compound name

1-(6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 246.19836 Da
Monoisotopic Mass: 4.0
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	155.8
[M+Na]+	269.187578	162.2
[M-H]-	245.191084	157.1
[M+NH4]+	264.232183	173.2
[M+K]+	285.161518	160.0
[M+H-H2O]+	229.195620	154.2
[M+HCOO]-	291.196561	173.8
[M+CH3COO]-	305.212211	193.0
[M+Na-2H]-	267.173026	155.8
[M]+	246.19781142	151.1
[M]-	246.19890858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe