CID 68928249

478623-90-4

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC(=O)C(=CN(C)C)C(=O)C1
InChI
InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)15-7-10(16)9(6-14(4)5)11(17)8-15/h6H,7-8H2,1-5H3
InChIKey
KKNKTNXIPXJGFZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(dimethylaminomethylidene)-3,5-dioxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 161.3
[M+Na]+ 291.13152 169.2
[M+NH4]+ 286.17612 165.8
[M+K]+ 307.10546 166.5
[M-H]- 267.13502 159.9
[M+Na-2H]- 289.11697 162.6
[M]+ 268.14175 161.5
[M]- 268.14285 161.5
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