CID 88539879

Schembl9950060

Structural Information

Molecular Formula

C₇H₁₉N₃O

SMILES

CC(C)(NCCNCCN)O

InChI

InChI=1S/C7H19N3O/c1-7(2,11)10-6-5-9-4-3-8/h9-11H,3-6,8H2,1-2H3

InChIKey

DQTQZSNEESUIOJ-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethylamino)ethylamino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 161.15282 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]+	162.16010	137.7
[M+Na]+	184.14204	141.9
[M-H]-	160.14554	135.8
[M+NH4]+	179.18664	156.6
[M+K]+	200.11598	140.8
[M+H-H2O]+	144.15008	132.2
[M+HCOO]-	206.15102	160.6
[M+CH3COO]-	220.16667	184.2
[M+Na-2H]-	182.12749	143.9
[M]+	161.15227	134.8
[M]-	161.15337	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe