CID 109420

Dihydromethyl-alpha-ionone

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CCC(=O)CCC1C(=CCCC1(C)C)C

InChI

InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7,13H,5-6,8-10H2,1-4H3

InChIKey

KUZMAEUMYSXKOU-UHFFFAOYSA-N

Compound name

1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 231
Patents: 208.18271 Da
Monoisotopic Mass: 3.3
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]+	209.18999	149.4
[M+Na]+	231.17193	155.5
[M-H]-	207.17543	152.6
[M+NH4]+	226.21653	170.8
[M+K]+	247.14587	153.6
[M+H-H2O]+	191.17997	144.6
[M+HCOO]-	253.18091	168.9
[M+CH3COO]-	267.19656	191.0
[M+Na-2H]-	229.15738	151.7
[M]+	208.18216	149.5
[M]-	208.18326	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe