CID 49760545

1194376-44-7

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNC2=O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
RJXAFHSMTSRJKE-UHFFFAOYSA-N
Compound name
tert-butyl 1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

240.1474 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe