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

6
Patents

99.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 120.9
[M+Na]+ 122.057628 131.9
[M-H]- 98.061134 125.8
[M+NH4]+ 117.102233 139.7
[M+K]+ 138.031568 131.3
[M+H-H2O]+ 82.065670 115.1
[M+HCOO]- 144.066611 142.1
[M+CH3COO]- 158.082261 169.8
[M+Na-2H]- 120.043076 128.6
[M]+ 99.06786142 123.8
[M]- 99.06895858 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