CID 107085

68072-34-4

Structural Information

Molecular Formula

C₇H₁₉N₃O

SMILES

CC(CN(CCN)CCN)O

InChI

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

InChIKey

UAIYUVZUVMZSCH-UHFFFAOYSA-N

Compound name

1-[bis(2-aminoethyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 161.15282 Da
Monoisotopic Mass: -1.9
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	139.6
[M+Na]+	184.14204	143.3
[M-H]-	160.14554	138.5
[M+NH4]+	179.18664	158.8
[M+K]+	200.11598	143.4
[M+H-H2O]+	144.15008	133.3
[M+HCOO]-	206.15102	163.0
[M+CH3COO]-	220.16667	187.5
[M+Na-2H]-	182.12749	141.9
[M]+	161.15227	136.8
[M]-	161.15337	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe