CID 104564146

1913519-70-6

Structural Information

Molecular Formula
C12H20N2O5
SMILES
COCCOCCOCCOC1=NN=C(C=C1)CO
InChI
InChI=1S/C12H20N2O5/c1-16-4-5-17-6-7-18-8-9-19-12-3-2-11(10-15)13-14-12/h2-3,15H,4-10H2,1H3
InChIKey
XUKKIFFMRBLGRA-UHFFFAOYSA-N
Compound name
[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1372 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.144476 160.5
[M+Na]+ 295.126418 166.6
[M-H]- 271.129924 159.3
[M+NH4]+ 290.171023 173.3
[M+K]+ 311.100358 165.5
[M+H-H2O]+ 255.134460 151.7
[M+HCOO]- 317.135401 181.0
[M+CH3COO]- 331.151051 194.4
[M+Na-2H]- 293.111866 166.1
[M]+ 272.13665142 168.1
[M]- 272.13774858 168.1
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.