CID 362753

114915-67-2

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1C2CC(=O)NN=C2C3=C1C=CC(=C3)N
InChI
InChI=1S/C11H11N3O/c12-8-2-1-6-3-7-4-10(15)13-14-11(7)9(6)5-8/h1-2,5,7H,3-4,12H2,(H,13,15)
InChIKey
SHLKSZCXCGJHBR-UHFFFAOYSA-N
Compound name
8-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 142.0
[M+Na]+ 224.07943 151.2
[M-H]- 200.08293 143.3
[M+NH4]+ 219.12403 161.5
[M+K]+ 240.05337 146.1
[M+H-H2O]+ 184.08747 135.1
[M+HCOO]- 246.08841 160.3
[M+CH3COO]- 260.10406 154.1
[M+Na-2H]- 222.06488 147.7
[M]+ 201.08966 137.7
[M]- 201.09076 137.7
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.