CID 56936220

1,14-pentadecadien-3-one

Structural Information

Molecular Formula

C₁₅H₂₈O

SMILES

CCC(=O)CCCCCCCCCCC=C

InChI

InChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3H,1,4-14H2,2H3

InChIKey

USROZSBBFMADSY-UHFFFAOYSA-N

Compound name

pentadec-14-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.21402 Da
Monoisotopic Mass: 5.6
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]+	225.22130	160.4
[M+Na]+	247.20324	164.3
[M-H]-	223.20674	159.2
[M+NH4]+	242.24784	178.8
[M+K]+	263.17718	161.5
[M+H-H2O]+	207.21128	154.6
[M+HCOO]-	269.21222	180.9
[M+CH3COO]-	283.22787	195.5
[M+Na-2H]-	245.18869	161.5
[M]+	224.21347	164.6
[M]-	224.21457	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.