CID 55282123

Cis-3-amino-4-hydroxy-tetrahydropyran

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COCC(C1O)N

InChI

InChI=1S/C5H11NO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3,6H2

InChIKey

KUCSFTQJADYIQH-UHFFFAOYSA-N

Compound name

3-aminooxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 117.07898 Da
Monoisotopic Mass: -1.3
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]+	118.08626	122.0
[M+Na]+	140.06820	131.7
[M+NH4]+	135.11280	130.5
[M+K]+	156.04214	127.6
[M-H]-	116.07170	124.9
[M+Na-2H]-	138.05365	126.1
[M]+	117.07843	123.9
[M]-	117.07953	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe