CID 117697776

{2-oxa-5-azabicyclo[2.2.1]heptan-1-yl}methanol hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C2COC1(CN2)CO

InChI

InChI=1S/C6H11NO2/c8-4-6-1-5(2-9-6)7-3-6/h5,7-8H,1-4H2

InChIKey

RXTMDUKSGWQYTA-UHFFFAOYSA-N

Compound name

2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 129.07898 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]+	130.086256	125.5
[M+Na]+	152.068198	132.9
[M-H]-	128.071704	124.9
[M+NH4]+	147.112803	150.5
[M+K]+	168.042138	132.0
[M+H-H2O]+	112.076240	121.7
[M+HCOO]-	174.077181	143.0
[M+CH3COO]-	188.092831	138.7
[M+Na-2H]-	150.053646	132.4
[M]+	129.07843142	122.9
[M]-	129.07952858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe