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 129.5
[M+Na]+ 183.02956 140.6
[M-H]- 159.03306 130.8
[M+NH4]+ 178.07416 150.8
[M+K]+ 199.00350 138.1
[M+H-H2O]+ 143.03760 123.5
[M+HCOO]- 205.03854 148.6
[M+CH3COO]- 219.05419 175.9
[M+Na-2H]- 181.01501 134.9
[M]+ 160.03979 133.8
[M]- 160.04089 133.8
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.