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]+ 161.047616 129.5
[M+Na]+ 183.029558 140.6
[M-H]- 159.033064 130.8
[M+NH4]+ 178.074163 150.8
[M+K]+ 199.003498 138.1
[M+H-H2O]+ 143.037600 123.5
[M+HCOO]- 205.038541 148.6
[M+CH3COO]- 219.054191 175.9
[M+Na-2H]- 181.015006 134.9
[M]+ 160.03979142 133.8
[M]- 160.04088858 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.