CID 70664234

Cis-3-amino-4-hydroxy-tetrahydropyran

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COC[C@H]([C@H]1O)N

InChI

InChI=1S/C5H11NO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3,6H2/t4-,5+/m1/s1

InChIKey

KUCSFTQJADYIQH-UHNVWZDZSA-N

Compound name

(3R,4S)-3-aminooxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
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]+	118.086256	122.7
[M+Na]+	140.068198	128.4
[M-H]-	116.071704	124.9
[M+NH4]+	135.112803	142.7
[M+K]+	156.042138	128.7
[M+H-H2O]+	100.076240	117.6
[M+HCOO]-	162.077181	142.6
[M+CH3COO]-	176.092831	166.9
[M+Na-2H]-	138.053646	129.0
[M]+	117.07843142	117.1
[M]-	117.07952858	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe