CID 13642940

Pyridazine-3-carbonitrile

Structural Information

Molecular Formula
C5H3N3
SMILES
C1=CC(=NN=C1)C#N
InChI
InChI=1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H
InChIKey
PJESVVYWPFAJCS-UHFFFAOYSA-N
Compound name
pyridazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1203
Patents

105.0327 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03998 115.5
[M+Na]+ 128.02192 125.9
[M-H]- 104.02542 115.8
[M+NH4]+ 123.06652 133.4
[M+K]+ 143.99586 124.2
[M+H-H2O]+ 88.029960 101.8
[M+HCOO]- 150.03090 134.9
[M+CH3COO]- 164.04655 179.8
[M+Na-2H]- 126.00737 125.3
[M]+ 105.03215 109.7
[M]- 105.03325 109.7
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