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

7
Patents

254.16304 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 161.2
[M+Na]+ 277.152258 165.8
[M-H]- 253.155764 161.6
[M+NH4]+ 272.196863 176.6
[M+K]+ 293.126198 164.4
[M+H-H2O]+ 237.160300 154.0
[M+HCOO]- 299.161241 172.8
[M+CH3COO]- 313.176891 194.1
[M+Na-2H]- 275.137706 163.9
[M]+ 254.16249142 157.6
[M]- 254.16358858 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