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]+ 289.191056 171.8
[M+Na]+ 311.172998 173.4
[M-H]- 287.176504 174.1
[M+NH4]+ 306.217603 184.9
[M+K]+ 327.146938 169.2
[M+H-H2O]+ 271.181040 161.5
[M+HCOO]- 333.181981 183.2
[M+CH3COO]- 347.197631 179.2
[M+Na-2H]- 309.158446 174.4
[M]+ 288.18323142 162.1
[M]- 288.18432858 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.