CID 86209565

Diquat metabolite

Structural Information

Molecular Formula
C8H9N2O
SMILES
C1C[N+]2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1
InChIKey
LCIXSECGVFWZKB-UHFFFAOYSA-O
Compound name
3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

149.07149 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07877 129.2
[M+Na]+ 172.06071 137.1
[M-H]- 148.06421 129.7
[M+NH4]+ 167.10531 147.7
[M+K]+ 188.03465 128.4
[M+H-H2O]+ 132.06875 125.0
[M+HCOO]- 194.06969 147.1
[M+CH3COO]- 208.08534 164.7
[M+Na-2H]- 170.04616 140.4
[M]+ 149.07094 123.7
[M]- 149.07204 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.