CID 3032893

9011-55-6

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CCCCCCNC(=O)CCCCC(=O)N

InChI

InChI=1S/C12H24N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2-10H2,1H3,(H2,13,15)(H,14,16)

InChIKey

QDBQXOAICGSACD-UHFFFAOYSA-N

Compound name

N'-hexylhexanediamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1381
Patents: 228.18378 Da
Monoisotopic Mass: 1.4
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	162.0
[M-H]-	227.176504	157.6
[M+NH4]+	246.217603	176.0
[M+K]+	267.146938	160.5
[M+H-H2O]+	211.181040	152.3
[M+HCOO]-	273.181981	181.0
[M+CH3COO]-	287.197631	197.6
[M+Na-2H]-	249.158446	159.6
[M]+	228.18323142	159.8
[M]-	228.18432858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe