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

9
Patents

211.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 153.0
[M+Na]+ 234.110068 162.1
[M-H]- 210.113574 156.8
[M+NH4]+ 229.154673 167.2
[M+K]+ 250.084008 159.5
[M+H-H2O]+ 194.118110 147.1
[M+HCOO]- 256.119051 169.6
[M+CH3COO]- 270.134701 190.0
[M+Na-2H]- 232.095516 157.0
[M]+ 211.12030142 156.1
[M]- 211.12139858 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