CID 62269416

4-iodo-1,5-dimethyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H7IN2O2
SMILES
CC1=C(C(=NN1C)C(=O)O)I
InChI
InChI=1S/C6H7IN2O2/c1-3-4(7)5(6(10)11)8-9(3)2/h1-2H3,(H,10,11)
InChIKey
LLKCKWLAENNHOZ-UHFFFAOYSA-N
Compound name
4-iodo-1,5-dimethylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.95523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96251 141.6
[M+Na]+ 288.94445 145.0
[M+NH4]+ 283.98905 143.8
[M+K]+ 304.91839 145.9
[M-H]- 264.94795 134.3
[M+Na-2H]- 286.92990 132.6
[M]+ 265.95468 138.6
[M]- 265.95578 138.6
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

patents stripe