CID 43810503

3-methyl-4h-pyrido[2,1-c][1,2,4]triazin-4-one

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NN=C2C=CC=CN2C1=O
InChI
InChI=1S/C8H7N3O/c1-6-8(12)11-5-3-2-4-7(11)10-9-6/h2-5H,1H3
InChIKey
YEXMPUAODGWUCK-UHFFFAOYSA-N
Compound name
3-methylpyrido[2,1-c][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.6
[M+Na]+ 184.04813 142.2
[M-H]- 160.05163 131.8
[M+NH4]+ 179.09273 148.7
[M+K]+ 200.02207 138.9
[M+H-H2O]+ 144.05617 122.7
[M+HCOO]- 206.05711 151.7
[M+CH3COO]- 220.07276 144.5
[M+Na-2H]- 182.03358 141.2
[M]+ 161.05836 131.9
[M]- 161.05946 131.9
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

No patent data available for this compound.