CID 23435732

Benzyl 9-oxo-3-azaspiro[5.5]undec-7-ene-3-carboxylate

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1CC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C=CC1=O
InChI
InChI=1S/C18H21NO3/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/h1-6,8H,7,9-14H2
InChIKey
GZXUPVALIYWMTB-UHFFFAOYSA-N
Compound name
benzyl 9-oxo-3-azaspiro[5.5]undec-10-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

299.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.0
[M+Na]+ 322.14135 175.8
[M-H]- 298.14485 177.9
[M+NH4]+ 317.18595 187.0
[M+K]+ 338.11529 172.2
[M+H-H2O]+ 282.14939 162.4
[M+HCOO]- 344.15033 187.7
[M+CH3COO]- 358.16598 199.4
[M+Na-2H]- 320.12680 174.9
[M]+ 299.15158 166.5
[M]- 299.15268 166.5
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