CID 109387

68459-99-4

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=CCCC(C1C=CC(=O)C(C)C)(C)C

InChI

InChI=1S/C15H24O/c1-11(2)14(16)9-8-13-12(3)7-6-10-15(13,4)5/h7-9,11,13H,6,10H2,1-5H3

InChIKey

BFKQQVWLWQKHFZ-UHFFFAOYSA-N

Compound name

4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 220.18271 Da
Monoisotopic Mass: 4.0
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]+	221.18999	155.2
[M+Na]+	243.17193	166.1
[M+NH4]+	238.21653	164.6
[M+K]+	259.14587	157.7
[M-H]-	219.17543	156.8
[M+Na-2H]-	241.15738	160.5
[M]+	220.18216	157.3
[M]-	220.18326	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe