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]+ 202.097486 142.0
[M+Na]+ 224.079428 151.2
[M-H]- 200.082934 143.3
[M+NH4]+ 219.124033 161.5
[M+K]+ 240.053368 146.1
[M+H-H2O]+ 184.087470 135.1
[M+HCOO]- 246.088411 160.3
[M+CH3COO]- 260.104061 154.1
[M+Na-2H]- 222.064876 147.7
[M]+ 201.08966142 137.7
[M]- 201.09075858 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.