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 3-(chloromethyl)-1-methylpyrazole-5-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]+ 189.042526 135.9
[M+Na]+ 211.024468 146.7
[M-H]- 187.027974 137.4
[M+NH4]+ 206.069073 156.0
[M+K]+ 226.998408 144.3
[M+H-H2O]+ 171.032510 129.9
[M+HCOO]- 233.033451 154.2
[M+CH3COO]- 247.049101 180.2
[M+Na-2H]- 209.009916 139.7
[M]+ 188.03470142 140.7
[M]- 188.03579858 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.