CID 118994074

5-(chloromethyl)-3-methoxy-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CN1C(=CC(=N1)OC)CCl
InChI
InChI=1S/C6H9ClN2O/c1-9-5(4-7)3-6(8-9)10-2/h3H,4H2,1-2H3
InChIKey
PPKHPULQTGRKPU-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-methoxy-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.04034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04762 129.3
[M+Na]+ 183.02956 142.4
[M+NH4]+ 178.07416 137.7
[M+K]+ 199.00350 137.9
[M-H]- 159.03306 129.7
[M+Na-2H]- 181.01501 135.2
[M]+ 160.03979 131.5
[M]- 160.04089 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.