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 142.9
[M+Na]+ 192.09950 150.8
[M-H]- 168.10300 145.0
[M+NH4]+ 187.14410 159.2
[M+K]+ 208.07344 148.6
[M+H-H2O]+ 152.10754 137.3
[M+HCOO]- 214.10848 159.7
[M+CH3COO]- 228.12413 178.9
[M+Na-2H]- 190.08495 149.0
[M]+ 169.10973 143.0
[M]- 169.11083 143.0
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.