CID 165989807

2-methyl-1,2-oxazinan-4-ol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CN1CC(CCO1)O

InChI

InChI=1S/C5H11NO2/c1-6-4-5(7)2-3-8-6/h5,7H,2-4H2,1H3

InChIKey

HEWREPBVECMEOC-UHFFFAOYSA-N

Compound name

2-methyloxazinan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 117.07898 Da
Monoisotopic Mass: -0.2
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]+	118.086256	122.6
[M+Na]+	140.068198	129.1
[M-H]-	116.071704	123.8
[M+NH4]+	135.112803	141.9
[M+K]+	156.042138	129.9
[M+H-H2O]+	100.076240	116.9
[M+HCOO]-	162.077181	140.8
[M+CH3COO]-	176.092831	165.3
[M+Na-2H]-	138.053646	129.7
[M]+	117.07843142	119.2
[M]-	117.07952858	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.