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]+ 200.12813 144.1
[M+Na]+ 222.11007 148.4
[M-H]- 198.11357 140.8
[M+NH4]+ 217.15467 169.5
[M+K]+ 238.08401 148.3
[M+H-H2O]+ 182.11811 139.5
[M+HCOO]- 244.11905 154.8
[M+CH3COO]- 258.13470 188.6
[M+Na-2H]- 220.09552 156.7
[M]+ 199.12030 145.9
[M]- 199.12140 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.