CID 124249171

Tert-butyl 7-oxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2
InChI
InChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)14-6-11(7-14)5-12-8(15)4-13-11/h13H,4-7H2,1-3H3,(H,12,15)
InChIKey
LQKWXSRGSJWWND-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.14264 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 160.3
[M+Na]+ 264.13186 164.2
[M-H]- 240.13536 158.4
[M+NH4]+ 259.17646 168.2
[M+K]+ 280.10580 165.0
[M+H-H2O]+ 224.13990 148.6
[M+HCOO]- 286.14084 169.5
[M+CH3COO]- 300.15649 187.9
[M+Na-2H]- 262.11731 163.4
[M]+ 241.14209 163.2
[M]- 241.14319 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe