CID 12398011

1-(pyridazin-4-yl)propan-1-one

Structural Information

Molecular Formula
C7H8N2O
SMILES
CCC(=O)C1=CN=NC=C1
InChI
InChI=1S/C7H8N2O/c1-2-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3
InChIKey
KXWNMRLQSHSAMY-UHFFFAOYSA-N
Compound name
1-pyridazin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.6
[M+Na]+ 159.05288 139.8
[M+NH4]+ 154.09748 134.6
[M+K]+ 175.02682 133.9
[M-H]- 135.05638 127.4
[M+Na-2H]- 157.03833 134.1
[M]+ 136.06311 128.6
[M]- 136.06421 128.6
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