CID 119030500

Ethyl 6-benzyl-2-oxa-6-azaspiro[3.4]octane-8-carboxylate

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCOC(=O)C1CN(CC12COC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO3/c1-2-20-15(18)14-9-17(10-16(14)11-19-12-16)8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
CGBYSXYQRGWJGI-UHFFFAOYSA-N
Compound name
ethyl 7-benzyl-2-oxa-7-azaspiro[3.4]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 158.8
[M+Na]+ 298.141348 163.1
[M-H]- 274.144854 166.1
[M+NH4]+ 293.185953 169.6
[M+K]+ 314.115288 164.8
[M+H-H2O]+ 258.149390 147.0
[M+HCOO]- 320.150331 176.4
[M+CH3COO]- 334.165981 198.9
[M+Na-2H]- 296.126796 161.7
[M]+ 275.15158142 167.7
[M]- 275.15267858 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe