CID 80148

Decanophenone

Structural Information

Molecular Formula

C₁₆H₂₄O

SMILES

CCCCCCCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3

InChIKey

QQXJNLYVPPBERR-UHFFFAOYSA-N

Compound name

1-phenyldecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1250
Patents: 232.18271 Da
Monoisotopic Mass: 5.7
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]+	233.18999	158.6
[M+Na]+	255.17193	170.5
[M+NH4]+	250.21653	166.8
[M+K]+	271.14587	161.9
[M-H]-	231.17543	160.9
[M+Na-2H]-	253.15738	164.7
[M]+	232.18216	160.9
[M]-	232.18326	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe