CID 520878

3-ethoxypyridazine

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCOC1=NN=CC=C1
InChI
InChI=1S/C6H8N2O/c1-2-9-6-4-3-5-7-8-6/h3-5H,2H2,1H3
InChIKey
ZVVWBPYZGKHHSR-UHFFFAOYSA-N
Compound name
3-ethoxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

124.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.2
[M+Na]+ 147.05288 130.9
[M-H]- 123.05638 123.2
[M+NH4]+ 142.09748 141.8
[M+K]+ 163.02682 130.1
[M+H-H2O]+ 107.06092 115.1
[M+HCOO]- 169.06186 145.4
[M+CH3COO]- 183.07751 169.7
[M+Na-2H]- 145.03833 132.2
[M]+ 124.06311 123.5
[M]- 124.06421 123.5
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