CID 145925

Chebi:183796

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

C(CCNCCC=O)CN

InChI

InChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10/h7,9H,1-6,8H2

InChIKey

MMMHAACFRAVQHI-UHFFFAOYSA-N

Compound name

3-(4-aminobutylamino)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 144.12627 Da
Monoisotopic Mass: -1.0
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]+	145.13355	132.4
[M+Na]+	167.11549	140.4
[M+NH4]+	162.16009	139.5
[M+K]+	183.08943	134.7
[M-H]-	143.11899	132.5
[M+Na-2H]-	165.10094	135.6
[M]+	144.12572	133.1
[M]-	144.12682	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe