CID 170081

N-(2-hydroxypropyl)diethylenetriamine

Structural Information

Molecular Formula

C₇H₁₉N₃O

SMILES

CC(CNCCNCCN)O

InChI

InChI=1S/C7H19N3O/c1-7(11)6-10-5-4-9-3-2-8/h7,9-11H,2-6,8H2,1H3

InChIKey

TYJJJZBLPWLKNN-UHFFFAOYSA-N

Compound name

1-[2-(2-aminoethylamino)ethylamino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 161.15282 Da
Monoisotopic Mass: -1.8
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	138.3
[M+Na]+	184.14204	141.8
[M-H]-	160.14554	136.2
[M+NH4]+	179.18664	157.0
[M+K]+	200.11598	140.8
[M+H-H2O]+	144.15008	132.1
[M+HCOO]-	206.15102	161.8
[M+CH3COO]-	220.16667	184.7
[M+Na-2H]-	182.12749	142.5
[M]+	161.15227	135.2
[M]-	161.15337	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe