CID 516591

14612-29-4

Structural Information

Molecular Formula
C7H6N4
SMILES
CC1=NC2=C(C=CN=C2)N=N1
InChI
InChI=1S/C7H6N4/c1-5-9-7-4-8-3-2-6(7)11-10-5/h2-4H,1H3
InChIKey
RYAFSYUBWRLFHS-UHFFFAOYSA-N
Compound name
3-methylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

146.05925 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 128.9
[M+Na]+ 169.04847 139.8
[M-H]- 145.05197 128.3
[M+NH4]+ 164.09307 146.0
[M+K]+ 185.02241 136.6
[M+H-H2O]+ 129.05651 120.2
[M+HCOO]- 191.05745 148.5
[M+CH3COO]- 205.07310 142.1
[M+Na-2H]- 167.03392 140.7
[M]+ 146.05870 129.2
[M]- 146.05980 129.2
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.