CID 84072165

(4-aminooxan-2-yl)methanol hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1COC(CC1N)CO

InChI

InChI=1S/C6H13NO2/c7-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2

InChIKey

AORHCDNTOFUFGO-UHFFFAOYSA-N

Compound name

(4-aminooxan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 131.09464 Da
Monoisotopic Mass: -0.9
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	126.5
[M+Na]+	154.08386	136.0
[M+NH4]+	149.12846	134.8
[M+K]+	170.05780	131.7
[M-H]-	130.08736	129.4
[M+Na-2H]-	152.06931	130.3
[M]+	131.09409	128.3
[M]-	131.09519	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe