CID 57558295

6-methyl-3-oxa-6-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C5H9NO
SMILES
CN1C2C1COC2
InChI
InChI=1S/C5H9NO/c1-6-4-2-7-3-5(4)6/h4-5H,2-3H2,1H3
InChIKey
WVWSMZDWFRYRCL-UHFFFAOYSA-N
Compound name
6-methyl-3-oxa-6-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

99.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.9
[M+Na]+ 122.05763 131.6
[M+NH4]+ 117.10223 129.0
[M+K]+ 138.03157 129.4
[M-H]- 98.061134 128.0
[M+Na-2H]- 120.04308 125.4
[M]+ 99.067861 124.3
[M]- 99.068959 124.3
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