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]+ 318.217606 180.5
[M+Na]+ 340.199548 183.3
[M-H]- 316.203054 182.3
[M+NH4]+ 335.244153 185.8
[M+K]+ 356.173488 182.7
[M+H-H2O]+ 300.207590 166.0
[M+HCOO]- 362.208531 190.0
[M+CH3COO]- 376.224181 205.1
[M+Na-2H]- 338.184996 183.0
[M]+ 317.20978142 184.3
[M]- 317.21087858 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.