CID 64175843

3-(aminomethyl)oxan-3-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CC(COC1)(CN)O

InChI

InChI=1S/C6H13NO2/c7-4-6(8)2-1-3-9-5-6/h8H,1-5,7H2

InChIKey

IYXDACBECVMXMC-UHFFFAOYSA-N

Compound name

3-(aminomethyl)oxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 131.09464 Da
Monoisotopic Mass: -1.2
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]+	132.10192	126.9
[M+Na]+	154.08386	136.1
[M+NH4]+	149.12846	136.6
[M+K]+	170.05780	129.9
[M-H]-	130.08736	129.7
[M+Na-2H]-	152.06931	132.5
[M]+	131.09409	128.9
[M]-	131.09519	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe