CID 516597

121845-49-6

Structural Information

Molecular Formula
C9H8N4
SMILES
C1CC1C2=NC3=C(C=CN=C3)N=N2
InChI
InChI=1S/C9H8N4/c1-2-6(1)9-11-8-5-10-4-3-7(8)12-13-9/h3-6H,1-2H2
InChIKey
AYNHNZKYEURXHD-UHFFFAOYSA-N
Compound name
3-cyclopropylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

172.07489 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 150.6
[M+Na]+ 195.06411 162.4
[M-H]- 171.06761 153.3
[M+NH4]+ 190.10871 161.6
[M+K]+ 211.03805 157.1
[M+H-H2O]+ 155.07215 140.6
[M+HCOO]- 217.07309 170.1
[M+CH3COO]- 231.08874 162.1
[M+Na-2H]- 193.04956 159.9
[M]+ 172.07434 152.0
[M]- 172.07544 152.0
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

No patent data available for this compound.