CID 16228785

Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC1CC2=O
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3
InChIKey
YGENGNQEVDONGO-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

211.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 147.8
[M+Na]+ 234.11007 154.9
[M+NH4]+ 229.15467 154.8
[M+K]+ 250.08401 155.1
[M-H]- 210.11357 145.4
[M+Na-2H]- 232.09552 147.1
[M]+ 211.12030 147.7
[M]- 211.12140 147.7
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