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

43
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 159.4
[M+Na]+ 291.131518 165.6
[M-H]- 267.135024 162.8
[M+NH4]+ 286.176123 175.4
[M+K]+ 307.105458 165.5
[M+H-H2O]+ 251.139560 153.2
[M+HCOO]- 313.140501 177.7
[M+CH3COO]- 327.156151 202.5
[M+Na-2H]- 289.116966 160.4
[M]+ 268.14175142 160.4
[M]- 268.14284858 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