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 120.9
[M+Na]+ 122.05763 131.9
[M-H]- 98.061134 125.8
[M+NH4]+ 117.10223 139.7
[M+K]+ 138.03157 131.3
[M+H-H2O]+ 82.065670 115.1
[M+HCOO]- 144.06661 142.1
[M+CH3COO]- 158.08226 169.8
[M+Na-2H]- 120.04308 128.6
[M]+ 99.067861 123.8
[M]- 99.068959 123.8
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