CID 71649497

Benzyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CC2(CN(C1)C(=O)OCC3=CC=CC=C3)CO2
InChI
InChI=1S/C14H17NO3/c16-13(17-9-12-5-2-1-3-6-12)15-8-4-7-14(10-15)11-18-14/h1-3,5-6H,4,7-11H2
InChIKey
VXHCCNHBPGQJKU-UHFFFAOYSA-N
Compound name
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

247.12085 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 160.1
[M+Na]+ 270.11007 167.2
[M-H]- 246.11357 168.0
[M+NH4]+ 265.15467 171.7
[M+K]+ 286.08401 166.6
[M+H-H2O]+ 230.11811 151.9
[M+HCOO]- 292.11905 177.9
[M+CH3COO]- 306.13470 191.9
[M+Na-2H]- 268.09552 166.2
[M]+ 247.12030 161.0
[M]- 247.12140 161.0
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