CID 24729770

2-amino-2-(oxan-4-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1COCCC1C(CO)N

InChI

InChI=1S/C7H15NO2/c8-7(5-9)6-1-3-10-4-2-6/h6-7,9H,1-5,8H2

InChIKey

XOJUNYXOESDYTH-UHFFFAOYSA-N

Compound name

2-amino-2-(oxan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 145.11028 Da
Monoisotopic Mass: -0.7
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]+	146.117556	132.7
[M+Na]+	168.099498	136.2
[M-H]-	144.103004	134.1
[M+NH4]+	163.144103	151.1
[M+K]+	184.073438	136.5
[M+H-H2O]+	128.107540	127.0
[M+HCOO]-	190.108481	150.9
[M+CH3COO]-	204.124131	172.8
[M+Na-2H]-	166.084946	137.3
[M]+	145.10973142	126.7
[M]-	145.11082858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe