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 161.2
[M+Na]+ 270.11007 174.9
[M+NH4]+ 265.15467 171.2
[M+K]+ 286.08401 168.0
[M-H]- 246.11357 173.1
[M+Na-2H]- 268.09552 171.5
[M]+ 247.12030 167.8
[M]- 247.12140 167.8
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