CID 19761172

2287299-40-3

Structural Information

Molecular Formula
C7H9N3
SMILES
C1CNCC2=C1N=NC=C2
InChI
InChI=1S/C7H9N3/c1-4-9-10-7-2-3-8-5-6(1)7/h1,4,8H,2-3,5H2
InChIKey
WPKKYTFIJLZVPP-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

433
Patents

135.07965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 127.3
[M+Na]+ 158.06887 140.6
[M+NH4]+ 153.11347 136.2
[M+K]+ 174.04281 133.7
[M-H]- 134.07237 128.4
[M+Na-2H]- 156.05432 134.3
[M]+ 135.07910 129.4
[M]- 135.08020 129.4
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