CID 208339

32002-31-6

Structural Information

Molecular Formula
C6H7N5O
SMILES
CC1=C(C(=O)C2=NN=CN2N1)N
InChI
InChI=1S/C6H7N5O/c1-3-4(7)5(12)6-9-8-2-11(6)10-3/h2,10H,7H2,1H3
InChIKey
QRMPQVMUOVXNAB-UHFFFAOYSA-N
Compound name
7-amino-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 130.8
[M+Na]+ 188.05428 143.8
[M+NH4]+ 183.09888 137.2
[M+K]+ 204.02822 141.1
[M-H]- 164.05778 130.2
[M+Na-2H]- 186.03973 136.2
[M]+ 165.06451 132.1
[M]- 165.06561 132.1
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.