CID 3022108

4-piperidinol, 1-(6-(2-hydroxyphenyl)-3-pyridazinyl)-

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3O
InChI
InChI=1S/C15H17N3O2/c19-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)20/h1-6,11,19-20H,7-10H2
InChIKey
JGYLUGJSFWBSGA-UHFFFAOYSA-N
Compound name
1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 164.4
[M+Na]+ 294.121298 170.6
[M-H]- 270.124804 167.0
[M+NH4]+ 289.165903 174.6
[M+K]+ 310.095238 164.9
[M+H-H2O]+ 254.129340 153.9
[M+HCOO]- 316.130281 178.7
[M+CH3COO]- 330.145931 173.5
[M+Na-2H]- 292.106746 168.3
[M]+ 271.13153142 158.7
[M]- 271.13262858 158.7
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

No patent data available for this compound.