CID 66509236

2-(4-iodo-5-methyl-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H9IN2O2
SMILES
CC1=C(C=NN1C(C)C(=O)O)I
InChI
InChI=1S/C7H9IN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
InChIKey
FTMKFOFPKCJESV-UHFFFAOYSA-N
Compound name
2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9709 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97818 146.4
[M+Na]+ 302.96012 148.9
[M+NH4]+ 298.00472 148.3
[M+K]+ 318.93406 150.2
[M-H]- 278.96362 138.8
[M+Na-2H]- 300.94557 137.0
[M]+ 279.97035 143.1
[M]- 279.97145 143.1
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.