CID 130606173

1-methyl-2-oxa-4-azabicyclo(3.1.1)heptan-3-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC12CC(C1)NC(=O)O2
InChI
InChI=1S/C6H9NO2/c1-6-2-4(3-6)7-5(8)9-6/h4H,2-3H2,1H3,(H,7,8)
InChIKey
OPRFFEOQKZVZKB-UHFFFAOYSA-N
Compound name
1-methyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 121.4
[M+Na]+ 150.05255 127.5
[M+NH4]+ 145.09715 128.6
[M+K]+ 166.02649 122.6
[M-H]- 126.05605 117.4
[M+Na-2H]- 148.03800 119.2
[M]+ 127.06278 120.0
[M]- 127.06388 120.0
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

No patent data available for this compound.