CID 44153914

94159-42-9

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC(C)(CO)N1CN2C(=O)C=CC(=O)N2C1
InChI
InChI=1S/C10H15N3O3/c1-10(2,5-14)11-6-12-8(15)3-4-9(16)13(12)7-11/h3-4,14H,5-7H2,1-2H3
InChIKey
WNALBJFDAXZPPG-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-2-methylpropan-2-yl)-1,3-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 149.9
[M+Na]+ 248.100558 160.2
[M-H]- 224.104064 149.8
[M+NH4]+ 243.145163 166.8
[M+K]+ 264.074498 157.3
[M+H-H2O]+ 208.108600 143.2
[M+HCOO]- 270.109541 167.1
[M+CH3COO]- 284.125191 186.3
[M+Na-2H]- 246.086006 155.3
[M]+ 225.11079142 151.5
[M]- 225.11188858 151.5
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.