CID 110301

1965-29-3

Structural Information

Molecular Formula

C₆H₁₇N₃O

SMILES

C(CNCCNCCO)N

InChI

InChI=1S/C6H17N3O/c7-1-2-8-3-4-9-5-6-10/h8-10H,1-7H2

InChIKey

HVOBSBRYQIYZNY-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethylamino)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1925
Patents: 147.13716 Da
Monoisotopic Mass: -2.3
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]+	148.144436	132.2
[M+Na]+	170.126378	136.3
[M-H]-	146.129884	130.2
[M+NH4]+	165.170983	151.6
[M+K]+	186.100318	135.1
[M+H-H2O]+	130.134420	126.2
[M+HCOO]-	192.135361	157.0
[M+CH3COO]-	206.151011	180.8
[M+Na-2H]-	168.111826	138.3
[M]+	147.13661142	129.5
[M]-	147.13770858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe