CID 53425314

[3-(6-methoxypyridazin-3-yl)phenyl]methanol

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC1=NN=C(C=C1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C12H12N2O2/c1-16-12-6-5-11(13-14-12)10-4-2-3-9(7-10)8-15/h2-7,15H,8H2,1H3
InChIKey
DVSNUPTYLKFCIB-UHFFFAOYSA-N
Compound name
[3-(6-methoxypyridazin-3-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.8
[M+Na]+ 239.07909 155.6
[M-H]- 215.08259 149.8
[M+NH4]+ 234.12369 162.0
[M+K]+ 255.05303 151.9
[M+H-H2O]+ 199.08713 138.2
[M+HCOO]- 261.08807 168.1
[M+CH3COO]- 275.10372 185.1
[M+Na-2H]- 237.06454 154.1
[M]+ 216.08932 147.9
[M]- 216.09042 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.