CID 118322

36399-15-2

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CC1CC(=O)CCCCCCCCCCC=C1

InChI

InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3

InChIKey

JRQWMYKJVZYCDE-UHFFFAOYSA-N

Compound name

3-methylcyclopentadec-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1524
Patents: 236.21402 Da
Monoisotopic Mass: 5.5
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]+	237.22130	157.5
[M+Na]+	259.20324	167.5
[M+NH4]+	254.24784	165.5
[M+K]+	275.17718	159.6
[M-H]-	235.20674	161.4
[M+Na-2H]-	257.18869	163.4
[M]+	236.21347	159.6
[M]-	236.21457	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe