CID 155973026

Methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCC12CC(C1)(NC2)C(=O)OC
InChI
InChI=1S/C9H15NO2/c1-3-8-4-9(5-8,10-6-8)7(11)12-2/h10H,3-6H2,1-2H3
InChIKey
GCXBACUIUJRJDQ-UHFFFAOYSA-N
Compound name
methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-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 148.6
[M+Na]+ 192.09950 154.8
[M-H]- 168.10300 147.4
[M+NH4]+ 187.14410 171.4
[M+K]+ 208.07344 155.3
[M+H-H2O]+ 152.10754 142.1
[M+HCOO]- 214.10848 163.7
[M+CH3COO]- 228.12413 181.1
[M+Na-2H]- 190.08495 155.3
[M]+ 169.10973 161.1
[M]- 169.11083 161.1
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

No patent data available for this compound.