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: 2911
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	134.7
[M+Na]+	170.11515	140.0
[M-H]-	146.11865	133.3
[M+NH4]+	165.15975	155.2
[M+K]+	186.08909	139.9
[M+H-H2O]+	130.12319	129.6
[M+HCOO]-	192.12413	157.2
[M+CH3COO]-	206.13978	177.1
[M+Na-2H]-	168.10060	139.6
[M]+	147.12538	135.9
[M]-	147.12648	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe