CID 81441704

6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C8H9ClN4
SMILES
CC1=C(C(=NN2C1=NN=C2C)Cl)C
InChI
InChI=1S/C8H9ClN4/c1-4-5(2)8-11-10-6(3)13(8)12-7(4)9/h1-3H3
InChIKey
DPOOBDSRZWPEFV-UHFFFAOYSA-N
Compound name
6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.05157 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05885 139.5
[M+Na]+ 219.04079 154.3
[M-H]- 195.04429 140.0
[M+NH4]+ 214.08539 158.3
[M+K]+ 235.01473 149.4
[M+H-H2O]+ 179.04883 131.9
[M+HCOO]- 241.04977 156.2
[M+CH3COO]- 255.06542 153.6
[M+Na-2H]- 217.02624 145.9
[M]+ 196.05102 145.2
[M]- 196.05212 145.2
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.