CID 66016112

Ethyl 2-(5-chloro-3-methyl-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C8H11ClN2O2
SMILES
CCOC(=O)CN1C(=CC(=N1)C)Cl
InChI
InChI=1S/C8H11ClN2O2/c1-3-13-8(12)5-11-7(9)4-6(2)10-11/h4H,3,5H2,1-2H3
InChIKey
IVDWRSMHUUIEPI-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloro-3-methylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05818 140.9
[M+Na]+ 225.04012 152.8
[M+NH4]+ 220.08472 148.0
[M+K]+ 241.01406 149.1
[M-H]- 201.04362 140.3
[M+Na-2H]- 223.02557 145.3
[M]+ 202.05035 142.5
[M]- 202.05145 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.