CID 6436691

57934-98-2

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCC1=C(C(CCC1)(C)C)C(=O)/C=C/C

InChI

InChI=1S/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5,8H,6-7,9-10H2,1-4H3/b8-5+

InChIKey

FKXJNDRRTCDTPL-VMPITWQZSA-N

Compound name

(E)-1-(2-ethyl-6,6-dimethylcyclohexen-1-yl)but-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	207.17435	150.8
[M+Na]+	229.15629	162.2
[M+NH4]+	224.20089	160.5
[M+K]+	245.13023	153.2
[M-H]-	205.15979	152.7
[M+Na-2H]-	227.14174	156.7
[M]+	206.16652	153.1
[M]-	206.16762	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe