CID 152085744

Ethyl 4-amino-2-oxabicyclo[2.2.2]octane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C12CCC(CC1)(CO2)N
InChI
InChI=1S/C10H17NO3/c1-2-13-8(12)10-5-3-9(11,4-6-10)7-14-10/h2-7,11H2,1H3
InChIKey
UXQQHCLVGCGIQC-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-oxabicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 144.1
[M+Na]+ 222.110068 148.4
[M-H]- 198.113574 140.8
[M+NH4]+ 217.154673 169.5
[M+K]+ 238.084008 148.3
[M+H-H2O]+ 182.118110 139.5
[M+HCOO]- 244.119051 154.8
[M+CH3COO]- 258.134701 188.6
[M+Na-2H]- 220.095516 156.7
[M]+ 199.12030142 145.9
[M]- 199.12139858 145.9
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.