CID 110981

7388-22-9

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC(=CC1C(=C)CCCC1(C)C)C(=O)C

InChI

InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3

InChIKey

YQUFLLFXOARBNW-UHFFFAOYSA-N

Compound name

4-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 351
Patents: 206.16707 Da
Monoisotopic Mass: 3.6
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	147.6
[M+Na]+	229.15629	153.2
[M-H]-	205.15979	150.7
[M+NH4]+	224.20089	168.9
[M+K]+	245.13023	150.8
[M+H-H2O]+	189.16433	143.4
[M+HCOO]-	251.16527	165.1
[M+CH3COO]-	265.18092	189.9
[M+Na-2H]-	227.14174	147.9
[M]+	206.16652	144.2
[M]-	206.16762	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe