CID 21027193

2-[(azetidin-3-yl)(methyl)amino]ethan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN(CCO)C1CNC1

InChI

InChI=1S/C6H14N2O/c1-8(2-3-9)6-4-7-5-6/h6-7,9H,2-5H2,1H3

InChIKey

KVGSBNWWWIMPMT-UHFFFAOYSA-N

Compound name

2-[azetidin-3-yl(methyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 130.11061 Da
Monoisotopic Mass: -1.0
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]+	131.11789	130.1
[M+Na]+	153.09983	133.9
[M-H]-	129.10333	130.5
[M+NH4]+	148.14443	143.1
[M+K]+	169.07377	136.6
[M+H-H2O]+	113.10787	118.6
[M+HCOO]-	175.10881	149.5
[M+CH3COO]-	189.12446	176.3
[M+Na-2H]-	151.08528	135.1
[M]+	130.11006	135.6
[M]-	130.11116	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe