CID 8014

N-methylethylenediamine

Structural Information

Molecular Formula

C₃H₁₀N₂

SMILES

CNCCN

InChI

InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3

InChIKey

KFIGICHILYTCJF-UHFFFAOYSA-N

Compound name

N'-methylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 11164
Patents: 74.0844 Da
Monoisotopic Mass: -1.1
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	112.1
[M+Na]+	97.073618	121.4
[M+NH4]+	92.118223	120.8
[M+K]+	113.04756	116.3
[M-H]-	73.077124	113.2
[M+Na-2H]-	95.059066	117.0
[M]+	74.083851	113.4
[M]-	74.084949	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe