CID 5363741

Gamma-ionone

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC(=O)/C=C/C1C(=C)CCCC1(C)C

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+

InChIKey

SFEOKXHPFMOVRM-BQYQJAHWSA-N

Compound name

(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 46
References: 15973
Patents: 192.15141 Da
Monoisotopic Mass: 3.2
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]+	193.15869	143.5
[M+Na]+	215.14063	149.7
[M-H]-	191.14413	146.7
[M+NH4]+	210.18523	165.4
[M+K]+	231.11457	147.1
[M+H-H2O]+	175.14867	139.2
[M+HCOO]-	237.14961	162.3
[M+CH3COO]-	251.16526	185.9
[M+Na-2H]-	213.12608	145.5
[M]+	192.15086	140.3
[M]-	192.15196	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe