CID 57416984

Tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)NC2
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-5-4-12(8-14)6-9(15)13-7-12/h4-8H2,1-3H3,(H,13,15)
InChIKey
UTKCYVWXAPAFRO-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

240.1474 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 158.4
[M+Na]+ 263.136618 164.3
[M-H]- 239.140124 159.9
[M+NH4]+ 258.181223 178.4
[M+K]+ 279.110558 162.7
[M+H-H2O]+ 223.144660 152.9
[M+HCOO]- 285.145601 173.5
[M+CH3COO]- 299.161251 185.1
[M+Na-2H]- 261.122066 159.1
[M]+ 240.14685142 154.8
[M]- 240.14794858 154.8
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

patents stripe