CID 3052616

69099-74-7

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1C2CC(=O)NN=C2C3=CC=CC=C31
InChI
InChI=1S/C11H10N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,8H,5-6H2,(H,12,14)
InChIKey
JUWKFPCTXSBEAD-UHFFFAOYSA-N
Compound name
2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

186.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 138.4
[M+Na]+ 209.068538 147.5
[M-H]- 185.072044 139.8
[M+NH4]+ 204.113143 158.8
[M+K]+ 225.042478 142.7
[M+H-H2O]+ 169.076580 131.4
[M+HCOO]- 231.077521 156.2
[M+CH3COO]- 245.093171 150.9
[M+Na-2H]- 207.053986 145.0
[M]+ 186.07877142 135.2
[M]- 186.07986858 135.2
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