CID 118593

34066-95-0

Structural Information

Molecular Formula

C₅H₁₅N₃

SMILES

CNCCNCCN

InChI

InChI=1S/C5H15N3/c1-7-4-5-8-3-2-6/h7-8H,2-6H2,1H3

InChIKey

QATBRNFTOCXULG-UHFFFAOYSA-N

Compound name

N'-[2-(methylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5391
Patents: 117.126595 Da
Monoisotopic Mass: -1.6
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]+	118.133871	125.2
[M+Na]+	140.115813	130.2
[M-H]-	116.119319	124.9
[M+NH4]+	135.160418	146.6
[M+K]+	156.089753	129.8
[M+H-H2O]+	100.123855	119.5
[M+HCOO]-	162.124796	151.6
[M+CH3COO]-	176.140446	178.2
[M+Na-2H]-	138.101261	132.3
[M]+	117.12604642	122.6
[M]-	117.12714358	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe