CID 17907909

Schembl352468

Structural Information

Molecular Formula

C₇H₁₈N₂O₂

SMILES

CC(N(CCCN)C(C)O)O

InChI

InChI=1S/C7H18N2O2/c1-6(10)9(7(2)11)5-3-4-8/h6-7,10-11H,3-5,8H2,1-2H3

InChIKey

OAYRSNABAHJNOH-UHFFFAOYSA-N

Compound name

1-[3-aminopropyl(1-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1450
Patents: 162.13683 Da
Monoisotopic Mass: -0.6
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]+	163.144106	140.1
[M+Na]+	185.126048	144.0
[M-H]-	161.129554	138.2
[M+NH4]+	180.170653	159.1
[M+K]+	201.099988	144.5
[M+H-H2O]+	145.134090	134.5
[M+HCOO]-	207.135031	160.8
[M+CH3COO]-	221.150681	183.4
[M+Na-2H]-	183.111496	141.3
[M]+	162.13628142	138.0
[M]-	162.13737858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe