CID 13459970

Ethyl 2-azabicyclo[2.1.1]hexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C12CC(C1)CN2
InChI
InChI=1S/C8H13NO2/c1-2-11-7(10)8-3-6(4-8)5-9-8/h6,9H,2-5H2,1H3
InChIKey
RUCDDOOHCCWORH-UHFFFAOYSA-N
Compound name
ethyl 2-azabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.7
[M+Na]+ 178.08386 147.2
[M-H]- 154.08736 140.2
[M+NH4]+ 173.12846 163.0
[M+K]+ 194.05780 148.4
[M+H-H2O]+ 138.09190 134.5
[M+HCOO]- 200.09284 157.2
[M+CH3COO]- 214.10849 178.4
[M+Na-2H]- 176.06931 148.0
[M]+ 155.09409 153.5
[M]- 155.09519 153.5
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.