CID 102964

3270-73-3

Structural Information

Molecular Formula

C₈H₂₀N₂O₂

SMILES

CC(CNCCNCC(C)O)O

InChI

InChI=1S/C8H20N2O2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3

InChIKey

NXNQLKPBPWLUSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 675
Patents: 176.15248 Da
Monoisotopic Mass: -1.2
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]+	177.159756	143.9
[M+Na]+	199.141698	147.1
[M-H]-	175.145204	140.9
[M+NH4]+	194.186303	161.9
[M+K]+	215.115638	146.4
[M+H-H2O]+	159.149740	138.2
[M+HCOO]-	221.150681	164.4
[M+CH3COO]-	235.166331	183.6
[M+Na-2H]-	197.127146	146.5
[M]+	176.15193142	141.9
[M]-	176.15302858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe