CID 96696

30769-76-7

Structural Information

Molecular Formula

C₈H₁₉NO₂

SMILES

CC(C)CN(CCO)CCO

InChI

InChI=1S/C8H19NO2/c1-8(2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3

InChIKey

MVVQNBYRSDXHRF-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(2-methylpropyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 757
Patents: 161.14159 Da
Monoisotopic Mass: 0.2
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]+	162.148866	140.0
[M+Na]+	184.130808	144.6
[M-H]-	160.134314	138.5
[M+NH4]+	179.175413	159.8
[M+K]+	200.104748	144.7
[M+H-H2O]+	144.138850	134.8
[M+HCOO]-	206.139791	161.1
[M+CH3COO]-	220.155441	181.0
[M+Na-2H]-	182.116256	143.0
[M]+	161.14104142	140.9
[M]-	161.14213858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe