CID 10535107

37043-04-2

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CCN2C(C1)C(=O)NCC2=O
InChI
InChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)
InChIKey
YXBLPNSWHUPKPH-UHFFFAOYSA-N
Compound name
3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

168.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 136.0
[M+Na]+ 191.079088 142.0
[M-H]- 167.082594 135.4
[M+NH4]+ 186.123693 153.9
[M+K]+ 207.053028 139.3
[M+H-H2O]+ 151.087130 129.0
[M+HCOO]- 213.088071 150.1
[M+CH3COO]- 227.103721 175.1
[M+Na-2H]- 189.064536 140.9
[M]+ 168.08932142 128.5
[M]- 168.09041858 128.5
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