CID 45089513

Ethyl 3-amino-8-oxabicyclo[3.2.1]octane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C1(CC2CCC(C1)O2)N
InChI
InChI=1S/C10H17NO3/c1-2-13-9(12)10(11)5-7-3-4-8(6-10)14-7/h7-8H,2-6,11H2,1H3
InChIKey
PIVZJIWZYJLYGX-UHFFFAOYSA-N
Compound name
ethyl 3-amino-8-oxabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.4
[M+Na]+ 222.11007 151.8
[M+NH4]+ 217.15467 153.8
[M+K]+ 238.08401 147.6
[M-H]- 198.11357 145.6
[M+Na-2H]- 220.09552 145.9
[M]+ 199.12030 145.5
[M]- 199.12140 145.5
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

patents stripe