CID 352755

1-(pyridazin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC(=O)C1=NN=CC=C1
InChI
InChI=1S/C6H6N2O/c1-5(9)6-3-2-4-7-8-6/h2-4H,1H3
InChIKey
FTSKLNSVINAQGJ-UHFFFAOYSA-N
Compound name
1-pyridazin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.1
[M+Na]+ 145.03723 129.9
[M-H]- 121.04073 122.3
[M+NH4]+ 140.08183 140.7
[M+K]+ 161.01117 128.9
[M+H-H2O]+ 105.04527 114.3
[M+HCOO]- 167.04621 143.5
[M+CH3COO]- 181.06186 169.6
[M+Na-2H]- 143.02268 130.0
[M]+ 122.04746 121.1
[M]- 122.04856 121.1
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