CID 516594

3-tert-butylpyrido[3,4-e][1,2,4]triazine

Structural Information

Molecular Formula
C10H12N4
SMILES
CC(C)(C)C1=NC2=C(C=CN=C2)N=N1
InChI
InChI=1S/C10H12N4/c1-10(2,3)9-12-8-6-11-5-4-7(8)13-14-9/h4-6H,1-3H3
InChIKey
ISNIXAJRVMVQES-UHFFFAOYSA-N
Compound name
3-tert-butylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

188.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 144.9
[M+Na]+ 211.095418 155.0
[M-H]- 187.098924 144.3
[M+NH4]+ 206.140023 160.5
[M+K]+ 227.069358 151.5
[M+H-H2O]+ 171.103460 136.3
[M+HCOO]- 233.104401 161.9
[M+CH3COO]- 247.120051 183.8
[M+Na-2H]- 209.080866 155.6
[M]+ 188.10565142 145.7
[M]- 188.10674858 145.7
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