CID 45480473

1211594-91-0

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 156.8
[M+Na]+ 273.12096 167.8
[M+NH4]+ 268.16556 162.9
[M+K]+ 289.09490 163.3
[M-H]- 249.12446 155.9
[M+Na-2H]- 271.10641 160.3
[M]+ 250.13119 157.9
[M]- 250.13229 157.9
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.