CID 118988287

4-iodo-3-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H6INO2
SMILES
CC1=C(NC=C1I)C(=O)O
InChI
InChI=1S/C6H6INO2/c1-3-4(7)2-8-5(3)6(9)10/h2,8H,1H3,(H,9,10)
InChIKey
PZOCJSMBVJCMAI-UHFFFAOYSA-N
Compound name
4-iodo-3-methyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.94434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.95162 136.4
[M+Na]+ 273.93356 138.5
[M-H]- 249.93706 130.0
[M+NH4]+ 268.97816 152.2
[M+K]+ 289.90750 142.1
[M+H-H2O]+ 233.94160 127.7
[M+HCOO]- 295.94254 152.7
[M+CH3COO]- 309.95819 178.1
[M+Na-2H]- 271.91901 127.7
[M]+ 250.94379 132.5
[M]- 250.94489 132.5
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.