CID 57419618

2-amino-3-(oxan-4-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1COCCC1CC(CO)N

InChI

InChI=1S/C8H17NO2/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6,9H2

InChIKey

RBWJWGLIQFODIB-UHFFFAOYSA-N

Compound name

2-amino-3-(oxan-4-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 159.12593 Da
Monoisotopic Mass: -0.4
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]+	160.13321	136.4
[M+Na]+	182.11515	144.7
[M+NH4]+	177.15975	144.1
[M+K]+	198.08909	140.5
[M-H]-	158.11865	138.8
[M+Na-2H]-	180.10060	139.4
[M]+	159.12538	137.9
[M]-	159.12648	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe