CID 79726

5625-80-9

Structural Information

Molecular Formula

C₈H₁₉N₃O

SMILES

C1COCCN1CCNCCN

InChI

InChI=1S/C8H19N3O/c9-1-2-10-3-4-11-5-7-12-8-6-11/h10H,1-9H2

InChIKey

KUURLBXQZULKFE-UHFFFAOYSA-N

Compound name

N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 173.15282 Da
Monoisotopic Mass: -1.5
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]+	174.16010	140.7
[M+Na]+	196.14204	143.6
[M-H]-	172.14554	141.6
[M+NH4]+	191.18664	157.0
[M+K]+	212.11598	143.5
[M+H-H2O]+	156.15008	133.0
[M+HCOO]-	218.15102	160.6
[M+CH3COO]-	232.16667	183.1
[M+Na-2H]-	194.12749	146.8
[M]+	173.15227	135.9
[M]-	173.15337	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe