CID 98797

51254-17-2

Structural Information

Molecular Formula

C₈H₂₀N₂O

SMILES

CCN(CC)CCNCCO

InChI

InChI=1S/C8H20N2O/c1-3-10(4-2)7-5-9-6-8-11/h9,11H,3-8H2,1-2H3

InChIKey

CPVZVEFIBNWXMH-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 190
Patents: 160.15756 Da
Monoisotopic Mass: -0.1
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]+	161.164836	139.6
[M+Na]+	183.146778	143.9
[M-H]-	159.150284	139.4
[M+NH4]+	178.191383	159.9
[M+K]+	199.120718	144.1
[M+H-H2O]+	143.154820	133.7
[M+HCOO]-	205.155761	164.0
[M+CH3COO]-	219.171411	185.8
[M+Na-2H]-	181.132226	144.6
[M]+	160.15701142	140.8
[M]-	160.15810858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe