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

41
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 159.4
[M+Na]+ 291.13152 165.6
[M-H]- 267.13502 162.8
[M+NH4]+ 286.17612 175.4
[M+K]+ 307.10546 165.5
[M+H-H2O]+ 251.13956 153.2
[M+HCOO]- 313.14050 177.7
[M+CH3COO]- 327.15615 202.5
[M+Na-2H]- 289.11697 160.4
[M]+ 268.14175 160.4
[M]- 268.14285 160.4
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