CID 60136692

4-iodo-1-propyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H9IN2O2
SMILES
CCCN1C(=C(C=N1)I)C(=O)O
InChI
InChI=1S/C7H9IN2O2/c1-2-3-10-6(7(11)12)5(8)4-9-10/h4H,2-3H2,1H3,(H,11,12)
InChIKey
GKDDIAFYUSEVGO-UHFFFAOYSA-N
Compound name
4-iodo-2-propylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9709 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97818 145.7
[M+Na]+ 302.96012 148.6
[M+NH4]+ 298.00472 147.8
[M+K]+ 318.93406 149.1
[M-H]- 278.96362 138.3
[M+Na-2H]- 300.94557 136.7
[M]+ 279.97035 142.6
[M]- 279.97145 142.6
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

No patent data available for this compound.