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

36
Patents

168.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.0
[M+Na]+ 191.07909 142.0
[M-H]- 167.08259 135.4
[M+NH4]+ 186.12369 153.9
[M+K]+ 207.05303 139.3
[M+H-H2O]+ 151.08713 129.0
[M+HCOO]- 213.08807 150.1
[M+CH3COO]- 227.10372 175.1
[M+Na-2H]- 189.06454 140.9
[M]+ 168.08932 128.5
[M]- 168.09042 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