CID 86222821

8-cbz-1,8-diazaspiro[5.5]undecane

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 173.0
[M+Na]+ 311.17300 183.6
[M+NH4]+ 306.21760 181.9
[M+K]+ 327.14694 174.5
[M-H]- 287.17650 176.4
[M+Na-2H]- 309.15845 180.3
[M]+ 288.18323 175.3
[M]- 288.18433 175.3
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.