CID 109192

Einecs 268-977-8

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCC(=O)C1CC=C(CC1C)CCC=C(C)C

InChI

InChI=1S/C16H26O/c1-5-16(17)15-10-9-14(11-13(15)4)8-6-7-12(2)3/h7,9,13,15H,5-6,8,10-11H2,1-4H3

InChIKey

CWKCCNHFQBRJEZ-UHFFFAOYSA-N

Compound name

1-[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 234.19836 Da
Monoisotopic Mass: 4.1
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]+	235.205636	158.8
[M+Na]+	257.187578	163.2
[M-H]-	233.191084	161.4
[M+NH4]+	252.232183	177.0
[M+K]+	273.161518	160.4
[M+H-H2O]+	217.195620	152.9
[M+HCOO]-	279.196561	176.8
[M+CH3COO]-	293.212211	196.8
[M+Na-2H]-	255.173026	157.5
[M]+	234.19781142	157.9
[M]-	234.19890858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe