CID 11344862

7-tetradecen-2-one, (7z)-

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

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

InChI

InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8-

InChIKey

ZFQMGOCRWDJUCX-HJWRWDBZSA-N

Compound name

(Z)-tetradec-7-en-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 898
Patents: 210.19836 Da
Monoisotopic Mass: 4.7
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]+	211.20564	156.1
[M+Na]+	233.18758	160.5
[M-H]-	209.19108	155.1
[M+NH4]+	228.23218	175.1
[M+K]+	249.16152	157.9
[M+H-H2O]+	193.19562	150.5
[M+HCOO]-	255.19656	176.9
[M+CH3COO]-	269.21221	191.8
[M+Na-2H]-	231.17303	157.7
[M]+	210.19781	159.8
[M]-	210.19891	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe