CID 59803011

1056629-20-9

Structural Information

Molecular Formula
C18H23NO3
SMILES
C1CC2(CCC1=O)CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H23NO3/c20-16-6-8-18(9-7-16)10-12-19(13-11-18)17(21)22-14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKey
XWVRAUFBYDPEPY-UHFFFAOYSA-N
Compound name
benzyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

301.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 173.3
[M+Na]+ 324.15702 176.1
[M-H]- 300.16052 178.8
[M+NH4]+ 319.20162 188.2
[M+K]+ 340.13096 172.8
[M+H-H2O]+ 284.16506 163.8
[M+HCOO]- 346.16600 187.6
[M+CH3COO]- 360.18165 199.8
[M+Na-2H]- 322.14247 175.2
[M]+ 301.16725 166.4
[M]- 301.16835 166.4
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