CID 386653

Nsc679110

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCCC1CC(=O)NC(=O)C1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO4/c1-5-6-8-7-9(15)14-11(16)10(8)12(17)18-13(2,3)4/h8,10H,5-7H2,1-4H3,(H,14,15,16)
InChIKey
CNXCDQRMLHOXAR-UHFFFAOYSA-N
Compound name
tert-butyl 2,6-dioxo-4-propylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.6
[M+Na]+ 278.13628 164.6
[M-H]- 254.13978 159.0
[M+NH4]+ 273.18088 174.0
[M+K]+ 294.11022 162.8
[M+H-H2O]+ 238.14432 152.9
[M+HCOO]- 300.14526 173.6
[M+CH3COO]- 314.16091 193.7
[M+Na-2H]- 276.12173 159.3
[M]+ 255.14651 158.0
[M]- 255.14761 158.0
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

No patent data available for this compound.