CID 75171

2212-32-0

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CN(C)CCN(C)CCO

InChI

InChI=1S/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3

InChIKey

LSYBWANTZYUTGJ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyl-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4061
Patents: 146.1419 Da
Monoisotopic Mass: -0.4
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]+	147.149176	135.4
[M+Na]+	169.131118	140.4
[M-H]-	145.134624	137.0
[M+NH4]+	164.175723	157.0
[M+K]+	185.105058	142.2
[M+H-H2O]+	129.139160	129.6
[M+HCOO]-	191.140101	160.6
[M+CH3COO]-	205.155751	186.3
[M+Na-2H]-	167.116566	140.2
[M]+	146.14135142	137.5
[M]-	146.14244858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe