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

20
Patents

163.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 135.1
[M+Na]+ 186.06377 143.8
[M-H]- 162.06727 132.8
[M+NH4]+ 181.10837 151.5
[M+K]+ 202.03771 139.2
[M+H-H2O]+ 146.07181 127.7
[M+HCOO]- 208.07275 150.4
[M+CH3COO]- 222.08840 146.5
[M+Na-2H]- 184.04922 142.6
[M]+ 163.07400 129.9
[M]- 163.07510 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