CID 42848

6735-35-9

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CCCN(CCO)CCO

InChI

InChI=1S/C7H17NO2/c1-2-3-8(4-6-9)5-7-10/h9-10H,2-7H2,1H3

InChIKey

OZICRFXCUVKDRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2730
Patents: 147.12593 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]+	148.13321	133.2
[M+Na]+	170.11515	141.4
[M+NH4]+	165.15975	140.3
[M+K]+	186.08909	136.8
[M-H]-	146.11865	132.2
[M+Na-2H]-	168.10060	135.8
[M]+	147.12538	133.7
[M]-	147.12648	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe