CID 4667423

2,8-decadiynediamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C(CCC#CC(=O)N)CC#CC(=O)N

InChI

InChI=1S/C10H12N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-4H2,(H2,11,13)(H2,12,14)

InChIKey

UDMIIGJVDQESIH-UHFFFAOYSA-N

Compound name

deca-2,8-diynediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 0.9
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]+	193.097146	158.5
[M+Na]+	215.079088	166.1
[M-H]-	191.082594	158.2
[M+NH4]+	210.123693	170.3
[M+K]+	231.053028	163.7
[M+H-H2O]+	175.087130	144.4
[M+HCOO]-	237.088071	167.4
[M+CH3COO]-	251.103721	211.1
[M+Na-2H]-	213.064536	156.9
[M]+	192.08932142	148.4
[M]-	192.09041858	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.