CID 92607

56974-03-9

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1CC(CC(=C1)C(=O)CCC=C)(C)C

InChI

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

InChIKey

YSSPNGUMZKBWDM-UHFFFAOYSA-N

Compound name

1-(3,5,5-trimethylcyclohexen-1-yl)pent-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	147.7
[M+Na]+	229.156288	154.1
[M-H]-	205.159794	151.0
[M+NH4]+	224.200893	169.1
[M+K]+	245.130228	151.6
[M+H-H2O]+	189.164330	143.0
[M+HCOO]-	251.165271	167.4
[M+CH3COO]-	265.180921	190.1
[M+Na-2H]-	227.141736	150.1
[M]+	206.16652142	147.1
[M]-	206.16761858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe