CID 14161105

116129-05-6

Structural Information

Molecular Formula
C7H9NO3
SMILES
COC(=O)C12CC(C1)C(=O)N2
InChI
InChI=1S/C7H9NO3/c1-11-6(10)7-2-4(3-7)5(9)8-7/h4H,2-3H2,1H3,(H,8,9)
InChIKey
CCRHBUGQSJDWFY-UHFFFAOYSA-N
Compound name
methyl 3-oxo-2-azabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 129.0
[M+Na]+ 178.04746 131.6
[M+NH4]+ 173.09206 134.6
[M+K]+ 194.02140 131.7
[M-H]- 154.05096 122.0
[M+Na-2H]- 176.03291 125.1
[M]+ 155.05769 125.9
[M]- 155.05879 125.9
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