CID 119056824

Tert-butyl 3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)NN2
InChI
InChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)14-5-4-11(7-14)6-8(15)12-13-11/h13H,4-7H2,1-3H3,(H,12,15)
InChIKey
YTJOGGJXWKYVIA-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 158.9
[M+Na]+ 264.131858 164.8
[M-H]- 240.135364 157.9
[M+NH4]+ 259.176463 176.8
[M+K]+ 280.105798 162.7
[M+H-H2O]+ 224.139900 152.9
[M+HCOO]- 286.140841 171.5
[M+CH3COO]- 300.156491 182.6
[M+Na-2H]- 262.117306 159.5
[M]+ 241.14209142 153.7
[M]- 241.14318858 153.7
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.