CID 84041122

Tert-butyl 5-oxo-2-azabicyclo[4.1.0]heptane-2-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C2C1C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-4-9(13)7-6-8(7)12/h7-8H,4-6H2,1-3H3
InChIKey
KZXXVCGECKITFR-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-2-azabicyclo[4.1.0]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 153.0
[M+Na]+ 234.11007 162.1
[M-H]- 210.11357 156.8
[M+NH4]+ 229.15467 167.2
[M+K]+ 250.08401 159.5
[M+H-H2O]+ 194.11811 147.1
[M+HCOO]- 256.11905 169.6
[M+CH3COO]- 270.13470 190.0
[M+Na-2H]- 232.09552 157.0
[M]+ 211.12030 156.0
[M]- 211.12140 156.1
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