CID 465395

3,6-diaminohexanamide

Structural Information

Molecular Formula

C₆H₁₅N₃O

SMILES

C(CC(CC(=O)N)N)CN

InChI

InChI=1S/C6H15N3O/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H2,9,10)

InChIKey

YHADRABFJIUKLA-UHFFFAOYSA-N

Compound name

3,6-diaminohexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 145.1215 Da
Monoisotopic Mass: -2.0
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]+	146.12878	134.0
[M+Na]+	168.11072	138.4
[M-H]-	144.11422	132.6
[M+NH4]+	163.15532	153.4
[M+K]+	184.08466	137.8
[M+H-H2O]+	128.11876	127.9
[M+HCOO]-	190.11970	157.2
[M+CH3COO]-	204.13535	182.9
[M+Na-2H]-	166.09617	135.7
[M]+	145.12095	129.0
[M]-	145.12205	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe