CID 62224370

Methyl 2-chloro-2-(1-methyl-1h-pyrazol-4-yl)acetate

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CN1C=C(C=N1)C(C(=O)OC)Cl
InChI
InChI=1S/C7H9ClN2O2/c1-10-4-5(3-9-10)6(8)7(11)12-2/h3-4,6H,1-2H3
InChIKey
GWAMSAVQYYPRSC-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-(1-methylpyrazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 136.3
[M+Na]+ 211.02447 145.9
[M-H]- 187.02797 137.6
[M+NH4]+ 206.06907 156.0
[M+K]+ 226.99841 143.9
[M+H-H2O]+ 171.03251 130.0
[M+HCOO]- 233.03345 153.6
[M+CH3COO]- 247.04910 179.9
[M+Na-2H]- 209.00992 139.6
[M]+ 188.03470 140.1
[M]- 188.03580 140.1
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.