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]+ 256.154336 158.6
[M+Na]+ 278.136278 164.6
[M-H]- 254.139784 159.0
[M+NH4]+ 273.180883 174.0
[M+K]+ 294.110218 162.8
[M+H-H2O]+ 238.144320 152.9
[M+HCOO]- 300.145261 173.6
[M+CH3COO]- 314.160911 193.7
[M+Na-2H]- 276.121726 159.3
[M]+ 255.14651142 158.0
[M]- 255.14760858 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.