CID 22266927

77355-06-7

Structural Information

Molecular Formula

C₉H₂₂N₂O₂

SMILES

CC(CN(CCCN)CC(C)O)O

InChI

InChI=1S/C9H22N2O2/c1-8(12)6-11(5-3-4-10)7-9(2)13/h8-9,12-13H,3-7,10H2,1-2H3

InChIKey

FYYUTGDAKCRTMZ-UHFFFAOYSA-N

Compound name

1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 190.16812 Da
Monoisotopic Mass: -0.8
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]+	191.17540	149.2
[M+Na]+	213.15734	152.2
[M-H]-	189.16084	147.0
[M+NH4]+	208.20194	167.1
[M+K]+	229.13128	152.3
[M+H-H2O]+	173.16538	143.2
[M+HCOO]-	235.16632	169.3
[M+CH3COO]-	249.18197	189.4
[M+Na-2H]-	211.14279	149.4
[M]+	190.16757	147.8
[M]-	190.16867	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe