CID 13150528

Ethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C1C2CC2CN1
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-6-3-5(6)4-9-7/h5-7,9H,2-4H2,1H3
InChIKey
QJFZMDWMBRUEMA-UHFFFAOYSA-N
Compound name
ethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 136.4
[M+Na]+ 178.08386 145.7
[M-H]- 154.08736 138.9
[M+NH4]+ 173.12846 153.4
[M+K]+ 194.05780 142.3
[M+H-H2O]+ 138.09190 130.7
[M+HCOO]- 200.09284 155.7
[M+CH3COO]- 214.10849 177.3
[M+Na-2H]- 176.06931 140.2
[M]+ 155.09409 138.1
[M]- 155.09519 138.1
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