CID 52988031

1048962-48-6

Structural Information

Molecular Formula

SMILES

C1C2C(C2N)CO1

InChI

InChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2

InChIKey

UVMHKNOMRGEMLC-UHFFFAOYSA-N

Compound name

3-oxabicyclo[3.1.0]hexan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
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	117.1
[M+Na]+	122.05763	128.5
[M+NH4]+	117.10223	127.4
[M+K]+	138.03157	126.9
[M-H]-	98.061134	127.1
[M+Na-2H]-	120.04308	123.5
[M]+	99.067861	122.5
[M]-	99.068959	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe