CID 165992167

Tert-butyl 2-benzyl-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC2(C1)CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H27N3O2/c1-17(2,3)23-16(22)21-10-9-19-18(14-21)12-20(13-18)11-15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3
InChIKey
JHFNSCQLWNCVKX-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 180.5
[M+Na]+ 340.19955 183.3
[M-H]- 316.20305 182.3
[M+NH4]+ 335.24415 185.8
[M+K]+ 356.17349 182.7
[M+H-H2O]+ 300.20759 166.0
[M+HCOO]- 362.20853 190.0
[M+CH3COO]- 376.22418 205.1
[M+Na-2H]- 338.18500 183.0
[M]+ 317.20978 184.3
[M]- 317.21088 184.3
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.