CID 357997

Brn 4254469

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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

literature stripe

Patent stripe

patents stripe