CID 56936218

Tetradec-13-en-3-one

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCC(=O)CCCCCCCCCC=C

InChI

InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3H,1,4-13H2,2H3

InChIKey

XTFWXOWQURZTRR-UHFFFAOYSA-N

Compound name

tetradec-13-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.19836 Da
Monoisotopic Mass: 5.1
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]+	211.20564	155.8
[M+Na]+	233.18758	160.2
[M-H]-	209.19108	154.8
[M+NH4]+	228.23218	174.8
[M+K]+	249.16152	157.6
[M+H-H2O]+	193.19562	150.2
[M+HCOO]-	255.19656	176.7
[M+CH3COO]-	269.21221	192.5
[M+Na-2H]-	231.17303	157.5
[M]+	210.19781	159.6
[M]-	210.19891	159.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.