CID 135441872

49772-14-7

Structural Information

Molecular Formula
C9H8N4O
SMILES
CC1=NN=C(NC1=O)C2=CC=CC=N2
InChI
InChI=1S/C9H8N4O/c1-6-9(14)11-8(13-12-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,13,14)
InChIKey
IEZOSIBUZQHMEK-UHFFFAOYSA-N
Compound name
6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

188.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 140.1
[M+Na]+ 211.059028 150.8
[M-H]- 187.062534 140.8
[M+NH4]+ 206.103633 153.7
[M+K]+ 227.032968 145.9
[M+H-H2O]+ 171.067070 130.8
[M+HCOO]- 233.068011 159.5
[M+CH3COO]- 247.083661 152.3
[M+Na-2H]- 209.044476 149.0
[M]+ 188.06926142 139.0
[M]- 188.07035858 139.0
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

patents stripe