CID 55298396

3-(chloromethyl)-1,4-dimethyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CC1=CN(N=C1CCl)C
InChI
InChI=1S/C6H9ClN2/c1-5-4-9(2)8-6(5)3-7/h4H,3H2,1-2H3
InChIKey
MXLQFVQFPLGUPJ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,4-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05271 126.3
[M+Na]+ 167.03465 139.9
[M+NH4]+ 162.07925 135.3
[M+K]+ 183.00859 134.8
[M-H]- 143.03815 127.2
[M+Na-2H]- 165.02010 132.7
[M]+ 144.04488 128.7
[M]- 144.04598 128.7
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