CID 86222821

Benzyl 1,8-diazaspiro[5.5]undecane-8-carboxylate

Structural Information

Molecular Formula
C17H24N2O2
SMILES
C1CCNC2(C1)CCCN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H24N2O2/c20-16(21-13-15-7-2-1-3-8-15)19-12-6-10-17(14-19)9-4-5-11-18-17/h1-3,7-8,18H,4-6,9-14H2
InChIKey
FCRQEWVYELAYNL-UHFFFAOYSA-N
Compound name
benzyl 1,8-diazaspiro[5.5]undecane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 171.8
[M+Na]+ 311.17300 173.4
[M-H]- 287.17650 174.1
[M+NH4]+ 306.21760 184.9
[M+K]+ 327.14694 169.2
[M+H-H2O]+ 271.18104 161.5
[M+HCOO]- 333.18198 183.2
[M+CH3COO]- 347.19763 179.2
[M+Na-2H]- 309.15845 174.4
[M]+ 288.18323 162.1
[M]- 288.18433 162.1
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

No patent data available for this compound.