CID 4111335

143936-29-2

Structural Information

Molecular Formula

C₂₀H₂₆O₂

SMILES

CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)C

InChI

InChI=1S/C20H26O2/c1-19(2,3)17(21)13-11-15-7-9-16(10-8-15)12-14-18(22)20(4,5)6/h7-14H,1-6H3

InChIKey

PVAIXUQSPUNOSS-UHFFFAOYSA-N

Compound name

1-[4-(4,4-dimethyl-3-oxopent-1-enyl)phenyl]-4,4-dimethylpent-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 298.19327 Da
Monoisotopic Mass: 4.9
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]+	299.200546	172.2
[M+Na]+	321.182488	177.8
[M-H]-	297.185994	175.3
[M+NH4]+	316.227093	188.0
[M+K]+	337.156428	173.9
[M+H-H2O]+	281.190530	166.7
[M+HCOO]-	343.191471	189.4
[M+CH3COO]-	357.207121	205.8
[M+Na-2H]-	319.167936	173.6
[M]+	298.19272142	174.2
[M]-	298.19381858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe