CID 72882

Decanediamide

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

C(CCCCC(=O)N)CCCC(=O)N

InChI

InChI=1S/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)

InChIKey

VDBXLXRWMYNMHL-UHFFFAOYSA-N

Compound name

decanediamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 5714
Patents: 200.15248 Da
Monoisotopic Mass: 0.8
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]+	201.159756	149.9
[M+Na]+	223.141698	153.8
[M-H]-	199.145204	148.4
[M+NH4]+	218.186303	167.7
[M+K]+	239.115638	152.4
[M+H-H2O]+	183.149740	143.6
[M+HCOO]-	245.150681	172.0
[M+CH3COO]-	259.166331	191.7
[M+Na-2H]-	221.127146	150.5
[M]+	200.15193142	149.1
[M]-	200.15302858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe