CID 22361440

4-iodo-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H6INO2
SMILES
CN1C=C(C=C1C(=O)O)I
InChI
InChI=1S/C6H6INO2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
FUVIUAXQXICJQK-UHFFFAOYSA-N
Compound name
4-iodo-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.94434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.95162 137.9
[M+Na]+ 273.93356 141.2
[M+NH4]+ 268.97816 140.9
[M+K]+ 289.90750 141.7
[M-H]- 249.93706 131.3
[M+Na-2H]- 271.91901 129.5
[M]+ 250.94379 135.1
[M]- 250.94489 135.1
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

patents stripe