CID 428

1,3-diaminopropane

Structural Information

Molecular Formula

C₃H₁₀N₂

SMILES

C(CN)CN

InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

InChIKey

XFNJVJPLKCPIBV-UHFFFAOYSA-N

Compound name

propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 590
References: 112909
Patents: 74.0844 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]+	75.091676	112.0
[M+Na]+	97.073618	121.0
[M+NH4]+	92.118223	120.6
[M+K]+	113.04756	116.1
[M-H]-	73.077124	112.9
[M+Na-2H]-	95.059066	116.5
[M]+	74.083851	113.2
[M]-	74.084949	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe