CID 56832315

1208081-34-8

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CN1C(=CC(=N1)CCl)C(=O)OC
InChI
InChI=1S/C7H9ClN2O2/c1-10-6(7(11)12-2)3-5(4-8)9-10/h3H,4H2,1-2H3
InChIKey
FEFQFCXMOGAZIT-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)-2-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 135.9
[M+Na]+ 211.02447 146.7
[M-H]- 187.02797 137.4
[M+NH4]+ 206.06907 156.0
[M+K]+ 226.99841 144.3
[M+H-H2O]+ 171.03251 129.9
[M+HCOO]- 233.03345 154.2
[M+CH3COO]- 247.04910 180.2
[M+Na-2H]- 209.00992 139.7
[M]+ 188.03470 140.7
[M]- 188.03580 140.7
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

No patent data available for this compound.