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]+ 173.082166 150.6
[M+Na]+ 195.064108 162.4
[M-H]- 171.067614 153.3
[M+NH4]+ 190.108713 161.6
[M+K]+ 211.038048 157.1
[M+H-H2O]+ 155.072150 140.6
[M+HCOO]- 217.073091 170.1
[M+CH3COO]- 231.088741 162.1
[M+Na-2H]- 193.049556 159.9
[M]+ 172.07434142 152.0
[M]- 172.07543858 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.