CID 3079304

Brn 4257108

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1C2COC3=C(C2=NNC1=O)C=CC(=C3)N
InChI
InChI=1S/C11H11N3O2/c12-7-1-2-8-9(4-7)16-5-6-3-10(15)13-14-11(6)8/h1-2,4,6H,3,5,12H2,(H,13,15)
InChIKey
SEJQDQSBPLOODO-UHFFFAOYSA-N
Compound name
8-amino-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 145.8
[M+Na]+ 240.07435 154.1
[M-H]- 216.07785 147.2
[M+NH4]+ 235.11895 161.2
[M+K]+ 256.04829 150.4
[M+H-H2O]+ 200.08239 137.9
[M+HCOO]- 262.08333 160.9
[M+CH3COO]- 276.09898 157.0
[M+Na-2H]- 238.05980 153.8
[M]+ 217.08458 141.2
[M]- 217.08568 141.2
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

patents stripe