CID 15197511

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

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC(C1=NN=CC=C1)O
InChI
InChI=1S/C6H8N2O/c1-5(9)6-3-2-4-7-8-6/h2-5,9H,1H3
InChIKey
REKAZYZDOBKGMH-UHFFFAOYSA-N
Compound name
1-pyridazin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
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 123.3
[M+Na]+ 147.05288 131.4
[M-H]- 123.05638 123.0
[M+NH4]+ 142.09748 142.1
[M+K]+ 163.02682 130.0
[M+H-H2O]+ 107.06092 116.6
[M+HCOO]- 169.06186 144.0
[M+CH3COO]- 183.07751 167.8
[M+Na-2H]- 145.03833 131.6
[M]+ 124.06311 122.1
[M]- 124.06421 122.1
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