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 134.4
[M+Na]+ 273.93356 137.0
[M-H]- 249.93706 129.4
[M+NH4]+ 268.97816 151.0
[M+K]+ 289.90750 141.5
[M+H-H2O]+ 233.94160 125.6
[M+HCOO]- 295.94254 152.2
[M+CH3COO]- 309.95819 180.5
[M+Na-2H]- 271.91901 126.4
[M]+ 250.94379 132.4
[M]- 250.94489 132.4
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