CID 80405

Einecs 228-389-4

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

C1CCN(C1)CCNCCN

InChI

InChI=1S/C8H19N3/c9-3-4-10-5-8-11-6-1-2-7-11/h10H,1-9H2

InChIKey

HKGTYLFPPIRQMM-UHFFFAOYSA-N

Compound name

N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 157.1579 Da
Monoisotopic Mass: -0.3
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]+	158.165176	136.4
[M+Na]+	180.147118	140.2
[M-H]-	156.150624	137.0
[M+NH4]+	175.191723	156.6
[M+K]+	196.121058	138.8
[M+H-H2O]+	140.155160	129.0
[M+HCOO]-	202.156101	159.2
[M+CH3COO]-	216.171751	180.9
[M+Na-2H]-	178.132566	140.5
[M]+	157.15735142	131.7
[M]-	157.15844858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe