CID 20557609

(6-chloropyridazin-3-yl)methanol hydrochloride

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
C1=CC(=NN=C1CO)Cl
InChI
InChI=1S/C5H5ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-2,9H,3H2
InChIKey
NEWRIXKPAGUARA-UHFFFAOYSA-N
Compound name
(6-chloropyridazin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

144.00903 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 123.1
[M+Na]+ 166.99825 133.5
[M-H]- 143.00175 122.9
[M+NH4]+ 162.04285 142.3
[M+K]+ 182.97219 130.0
[M+H-H2O]+ 127.00629 117.3
[M+HCOO]- 189.00723 140.4
[M+CH3COO]- 203.02288 169.0
[M+Na-2H]- 164.98370 131.9
[M]+ 144.00848 124.3
[M]- 144.00958 124.3
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

patents stripe