CID 6453603

3-oxa-6-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C4H7NO
SMILES
C1C2C(N2)CO1
InChI
InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2
InChIKey
NGXORXSKEIVRPY-UHFFFAOYSA-N
Compound name
3-oxa-6-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

85.052765 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 115.8
[M+Na]+ 108.041983 126.0
[M-H]- 84.045489 119.2
[M+NH4]+ 103.086588 134.1
[M+K]+ 124.015923 124.8
[M+H-H2O]+ 68.050025 110.2
[M+HCOO]- 130.050966 136.0
[M+CH3COO]- 144.066616 130.0
[M+Na-2H]- 106.027431 124.4
[M]+ 85.05221642 116.2
[M]- 85.05331358 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe