CID 92610

56974-07-3

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC(CC(=O)C1=CCCC(C1)(C)C)C=C

InChI

InChI=1S/C14H22O/c1-5-11(2)9-13(15)12-7-6-8-14(3,4)10-12/h5,7,11H,1,6,8-10H2,2-4H3

InChIKey

UUQUGOSCTSPPIO-UHFFFAOYSA-N

Compound name

1-(5,5-dimethylcyclohexen-1-yl)-3-methylpent-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.16707 Da
Monoisotopic Mass: 3.9
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]+	207.174346	149.1
[M+Na]+	229.156288	154.3
[M-H]-	205.159794	152.0
[M+NH4]+	224.200893	170.1
[M+K]+	245.130228	152.2
[M+H-H2O]+	189.164330	144.2
[M+HCOO]-	251.165271	167.8
[M+CH3COO]-	265.180921	189.8
[M+Na-2H]-	227.141736	150.8
[M]+	206.16652142	147.4
[M]-	206.16761858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe