CID 6567

1,2-diaminopropane

Structural Information

Molecular Formula

C₃H₁₀N₂

SMILES

CC(CN)N

InChI

InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3

InChIKey

AOHJOMMDDJHIJH-UHFFFAOYSA-N

Compound name

propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 95
References: 114168
Patents: 74.0844 Da
Monoisotopic Mass: -1.2
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	114.6
[M+Na]+	97.073618	121.1
[M-H]-	73.077124	114.3
[M+NH4]+	92.118223	137.8
[M+K]+	113.04756	121.3
[M+H-H2O]+	57.081660	110.0
[M+HCOO]-	119.08260	139.0
[M+CH3COO]-	133.09825	167.2
[M+Na-2H]-	95.059066	120.1
[M]+	74.083851	110.3
[M]-	74.084949	110.3

Literature stripe

literature stripe

Patent stripe

patents stripe