CID 122379190

Refchem:408663

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCC/C(=C\C(=O)CCCCC)/C

InChI

InChI=1S/C14H26O/c1-4-6-8-10-13(3)12-14(15)11-9-7-5-2/h12H,4-11H2,1-3H3/b13-12-

InChIKey

ZMIHFJNWKLWHOA-SEYXRHQNSA-N

Compound name

(Z)-8-methyltridec-7-en-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.19836 Da
Monoisotopic Mass: 5.4
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]+	211.205636	156.4
[M+Na]+	233.187578	160.6
[M-H]-	209.191084	155.6
[M+NH4]+	228.232183	175.5
[M+K]+	249.161518	158.5
[M+H-H2O]+	193.195620	150.9
[M+HCOO]-	255.196561	176.3
[M+CH3COO]-	269.212211	192.6
[M+Na-2H]-	231.173026	156.8
[M]+	210.19781142	159.5
[M]-	210.19890858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe