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

276
Patents

299.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 172.0
[M+Na]+ 322.141348 175.8
[M-H]- 298.144854 177.9
[M+NH4]+ 317.185953 187.0
[M+K]+ 338.115288 172.2
[M+H-H2O]+ 282.149390 162.4
[M+HCOO]- 344.150331 187.7
[M+CH3COO]- 358.165981 199.4
[M+Na-2H]- 320.126796 174.9
[M]+ 299.15158142 166.5
[M]- 299.15267858 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