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	132.7
[M+Na]+	167.11549	138.0
[M-H]-	143.11899	132.1
[M+NH4]+	162.16009	153.3
[M+K]+	183.08943	136.9
[M+H-H2O]+	127.12353	127.0
[M+HCOO]-	189.12447	157.9
[M+CH3COO]-	203.14012	180.3
[M+Na-2H]-	165.10094	138.6
[M]+	144.12572	132.4
[M]-	144.12682	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe