CID 129848092

7z-n-isobutyl-7-tridecene-10,12-diynamide

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

CC(C)CNC(=O)CCCCC/C=C\CC#CC#C

InChI

InChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,16H,7,10-15H2,2-3H3,(H,18,19)/b9-8-

InChIKey

HCEUPTTYCDQZJN-HJWRWDBZSA-N

Compound name

(Z)-N-(2-methylpropyl)tridec-7-en-10,12-diynamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.1936 Da
Monoisotopic Mass: 4.2
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]+	260.200876	169.6
[M+Na]+	282.182818	176.4
[M-H]-	258.186324	169.5
[M+NH4]+	277.227423	180.5
[M+K]+	298.156758	172.1
[M+H-H2O]+	242.190860	155.3
[M+HCOO]-	304.191801	177.4
[M+CH3COO]-	318.207451	221.3
[M+Na-2H]-	280.168266	167.4
[M]+	259.19305142	162.4
[M]-	259.19414858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.