CID 165664522

6-(chloromethyl)-3,4-dimethylpyridazinehydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=CC(=NN=C1C)CCl
InChI
InChI=1S/C7H9ClN2/c1-5-3-7(4-8)10-9-6(5)2/h3H,4H2,1-2H3
InChIKey
WTLDAKYFRDKKDS-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-3,4-dimethylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.4
[M+Na]+ 179.03465 139.4
[M-H]- 155.03815 129.7
[M+NH4]+ 174.07925 148.2
[M+K]+ 195.00859 135.9
[M+H-H2O]+ 139.04269 122.4
[M+HCOO]- 201.04363 146.3
[M+CH3COO]- 215.05928 176.8
[M+Na-2H]- 177.02010 136.0
[M]+ 156.04488 131.1
[M]- 156.04598 131.1
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.