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]+ 251.13902 157.9
[M+Na]+ 273.12096 165.1
[M-H]- 249.12446 158.1
[M+NH4]+ 268.16556 173.0
[M+K]+ 289.09490 162.2
[M+H-H2O]+ 233.12900 150.9
[M+HCOO]- 295.12994 172.4
[M+CH3COO]- 309.14559 190.5
[M+Na-2H]- 271.10641 163.1
[M]+ 250.13119 156.7
[M]- 250.13229 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.