CID 55280129

Ethyl 2-azabicyclo[4.1.0]heptane-1-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)C12CC1CCCN2
InChI
InChI=1S/C9H15NO2/c1-2-12-8(11)9-6-7(9)4-3-5-10-9/h7,10H,2-6H2,1H3
InChIKey
QMUOCTUQHPUAAW-UHFFFAOYSA-N
Compound name
ethyl 2-azabicyclo[4.1.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.7
[M+Na]+ 192.09950 151.8
[M+NH4]+ 187.14410 150.6
[M+K]+ 208.07344 146.2
[M-H]- 168.10300 147.9
[M+Na-2H]- 190.08495 147.7
[M]+ 169.10973 145.3
[M]- 169.11083 145.3
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.