CID 3063371

2,4,4a,9-tetrahydro-3h-indeno(2,1-c)pyridazin-3-one

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1C2C(=NNC1=O)CC3=CC=CC=C23
InChI
InChI=1S/C11H10N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,9H,5-6H2,(H,13,14)
InChIKey
NSLWKAHYUAHLNR-UHFFFAOYSA-N
Compound name
2,4,4a,9-tetrahydroindeno[2,1-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.