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

13
Patents

199.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 143.7
[M+Na]+ 222.110068 149.4
[M-H]- 198.113574 146.2
[M+NH4]+ 217.154673 166.4
[M+K]+ 238.084008 149.2
[M+H-H2O]+ 182.118110 139.4
[M+HCOO]- 244.119051 161.7
[M+CH3COO]- 258.134701 184.8
[M+Na-2H]- 220.095516 148.9
[M]+ 199.12030142 142.2
[M]- 199.12139858 142.2
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