CID 146049044

2411194-59-5

Structural Information

Molecular Formula

SMILES

C1C2CC1(CN2)O

InChI

InChI=1S/C5H9NO/c7-5-1-4(2-5)6-3-5/h4,6-7H,1-3H2

InChIKey

JPBJBTWGJUNQGX-UHFFFAOYSA-N

Compound name

2-azabicyclo[2.1.1]hexan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 99.06841 Da
Monoisotopic Mass: -0.7
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]+	100.07569	124.7
[M+Na]+	122.05763	131.5
[M-H]-	98.061134	122.6
[M+NH4]+	117.10223	147.9
[M+K]+	138.03157	132.2
[M+H-H2O]+	82.065670	118.2
[M+HCOO]-	144.06661	140.6
[M+CH3COO]-	158.08226	137.4
[M+Na-2H]-	120.04308	133.5
[M]+	99.067861	134.0
[M]-	99.068959	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.