CID 516592

121845-45-2

Structural Information

Molecular Formula
C9H10N4
SMILES
CCCC1=NC2=C(C=CN=C2)N=N1
InChI
InChI=1S/C9H10N4/c1-2-3-9-11-8-6-10-5-4-7(8)12-13-9/h4-6H,2-3H2,1H3
InChIKey
KZSXWJWFVZWSGY-UHFFFAOYSA-N
Compound name
3-propylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

174.09055 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 137.9
[M+Na]+ 197.07977 148.0
[M-H]- 173.08327 137.0
[M+NH4]+ 192.12437 153.9
[M+K]+ 213.05371 144.2
[M+H-H2O]+ 157.08781 128.8
[M+HCOO]- 219.08875 156.9
[M+CH3COO]- 233.10440 150.3
[M+Na-2H]- 195.06522 148.7
[M]+ 174.09000 139.0
[M]- 174.09110 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.