CID 57367078

Tert-butyl 7-oxo-octahydro-1h-pyrido[1,2-a]pyrazine-2-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN2CC(=O)CCC2C1
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-14-9-11(16)5-4-10(14)8-15/h10H,4-9H2,1-3H3
InChIKey
SQGPUKOULRMPIU-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.16304 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 161.2
[M+Na]+ 277.15226 165.8
[M-H]- 253.15576 161.6
[M+NH4]+ 272.19686 176.6
[M+K]+ 293.12620 164.4
[M+H-H2O]+ 237.16030 154.0
[M+HCOO]- 299.16124 172.8
[M+CH3COO]- 313.17689 194.1
[M+Na-2H]- 275.13771 163.9
[M]+ 254.16249 157.6
[M]- 254.16359 157.6
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

patents stripe