CID 55252939

1314934-34-3

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=C2C(=NC=C1)NCC(=O)N2
InChI
InChI=1S/C8H9N3O/c1-5-2-3-9-8-7(5)11-6(12)4-10-8/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKey
QPFWBUBUXAJWEB-UHFFFAOYSA-N
Compound name
8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 135.1
[M+Na]+ 186.063768 143.8
[M-H]- 162.067274 132.8
[M+NH4]+ 181.108373 151.5
[M+K]+ 202.037708 139.2
[M+H-H2O]+ 146.071810 127.7
[M+HCOO]- 208.072751 150.4
[M+CH3COO]- 222.088401 146.5
[M+Na-2H]- 184.049216 142.6
[M]+ 163.07400142 129.9
[M]- 163.07509858 129.9
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