CID 84770893

2-(5-chloro-1-ethyl-1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CCN1C(=C(C=N1)CC(=O)O)Cl
InChI
InChI=1S/C7H9ClN2O2/c1-2-10-7(8)5(4-9-10)3-6(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKey
OFWIMVOXOMUQOE-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-ethylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 136.9
[M+Na]+ 211.02447 148.4
[M+NH4]+ 206.06907 143.7
[M+K]+ 226.99841 145.2
[M-H]- 187.02797 135.7
[M+Na-2H]- 209.00992 140.9
[M]+ 188.03470 138.1
[M]- 188.03580 138.1
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.

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No patent data available for this compound.