CID 80364

Dodecanediamide

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

C(CCCCCC(=O)N)CCCCC(=O)N

InChI

InChI=1S/C12H24N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2,(H2,13,15)(H2,14,16)

InChIKey

FTZSDHHWPWGCDI-UHFFFAOYSA-N

Compound name

dodecanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 963
Patents: 228.18378 Da
Monoisotopic Mass: 1.9
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]+	229.191056	158.9
[M+Na]+	251.172998	161.9
[M-H]-	227.176504	157.0
[M+NH4]+	246.217603	175.6
[M+K]+	267.146938	160.0
[M+H-H2O]+	211.181040	152.2
[M+HCOO]-	273.181981	180.3
[M+CH3COO]-	287.197631	197.7
[M+Na-2H]-	249.158446	158.4
[M]+	228.18323142	158.8
[M]-	228.18432858	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe