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 129.2
[M+Na]+ 150.05255 135.8
[M-H]- 126.05605 127.0
[M+NH4]+ 145.09715 147.9
[M+K]+ 166.02649 138.4
[M+H-H2O]+ 110.06059 121.0
[M+HCOO]- 172.06153 141.0
[M+CH3COO]- 186.07718 141.1
[M+Na-2H]- 148.03800 142.0
[M]+ 127.06278 139.8
[M]- 127.06388 139.8
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

No patent data available for this compound.