CID 62319187

5-chloro-3-(methoxymethyl)-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9ClN2O3
SMILES
CN1C(=C(C(=N1)COC)C(=O)O)Cl
InChI
InChI=1S/C7H9ClN2O3/c1-10-6(8)5(7(11)12)4(9-10)3-13-2/h3H2,1-2H3,(H,11,12)
InChIKey
FBCMVYYLJMOXLG-UHFFFAOYSA-N
Compound name
5-chloro-3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03017 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03745 139.6
[M+Na]+ 227.01939 151.0
[M+NH4]+ 222.06399 145.8
[M+K]+ 242.99333 148.6
[M-H]- 203.02289 138.0
[M+Na-2H]- 225.00484 142.9
[M]+ 204.02962 140.7
[M]- 204.03072 140.7
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.