CID 109263

68259-33-6

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1=C2CC(C(C1)C(C2)C(=O)C)C(C)C

InChI

InChI=1S/C14H22O/c1-8(2)12-6-11-7-13(10(4)15)14(12)5-9(11)3/h8,12-14H,5-7H2,1-4H3

InChIKey

GNALWRWCIFZYEK-UHFFFAOYSA-N

Compound name

1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-4-enyl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 44
Patents: 206.16707 Da
Monoisotopic Mass: 2.4
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	152.3
[M+Na]+	229.15629	156.5
[M-H]-	205.15979	149.2
[M+NH4]+	224.20089	176.1
[M+K]+	245.13023	154.2
[M+H-H2O]+	189.16433	148.2
[M+HCOO]-	251.16527	162.2
[M+CH3COO]-	265.18092	197.4
[M+Na-2H]-	227.14174	157.9
[M]+	206.16652	154.4
[M]-	206.16762	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe