CID 45480473

Tert-butyl 5-oxo-1,2,3,4,5,6-hexahydro-2,6-naphthyridine-2-carboxylate

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CNC2=O
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-5-10-9(8-15)4-6-14-11(10)16/h4,6H,5,7-8H2,1-3H3,(H,14,16)
InChIKey
GDIUITYQLKFYQJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.9
[M+Na]+ 273.120958 165.1
[M-H]- 249.124464 158.1
[M+NH4]+ 268.165563 173.0
[M+K]+ 289.094898 162.2
[M+H-H2O]+ 233.129000 150.9
[M+HCOO]- 295.129941 172.4
[M+CH3COO]- 309.145591 190.5
[M+Na-2H]- 271.106406 163.1
[M]+ 250.13119142 156.7
[M]- 250.13228858 156.7
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.