CID 27538

15911-16-7

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CC1=C2C(=NNC(=O)C2=NO1)C
InChI
InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)
InChIKey
DINKYECDKUZHJM-UHFFFAOYSA-N
Compound name
3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

165.05383 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 129.9
[M+Na]+ 188.043048 143.4
[M-H]- 164.046554 131.3
[M+NH4]+ 183.087653 148.2
[M+K]+ 204.016988 141.0
[M+H-H2O]+ 148.051090 123.2
[M+HCOO]- 210.052031 151.4
[M+CH3COO]- 224.067681 144.6
[M+Na-2H]- 186.028496 138.4
[M]+ 165.05328142 133.7
[M]- 165.05437858 133.7
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.