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]+ 203.058176 140.6
[M+Na]+ 225.040118 150.9
[M-H]- 201.043624 141.9
[M+NH4]+ 220.084723 160.2
[M+K]+ 241.014058 148.3
[M+H-H2O]+ 185.048160 134.4
[M+HCOO]- 247.049101 158.6
[M+CH3COO]- 261.064751 183.2
[M+Na-2H]- 223.025566 143.8
[M]+ 202.05035142 145.8
[M]- 202.05144858 145.8
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.