CID 21826247

Methyl 4-iodo-1-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H8INO2
SMILES
CN1C=C(C=C1C(=O)OC)I
InChI
InChI=1S/C7H8INO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3
InChIKey
KSDPSEQHPJJWMC-UHFFFAOYSA-N
Compound name
methyl 4-iodo-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.96 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.96728 137.5
[M+Na]+ 287.94922 140.2
[M-H]- 263.95272 133.7
[M+NH4]+ 282.99382 154.4
[M+K]+ 303.92316 145.3
[M+H-H2O]+ 247.95726 128.4
[M+HCOO]- 309.95820 156.5
[M+CH3COO]- 323.97385 185.2
[M+Na-2H]- 285.93467 129.6
[M]+ 264.95945 137.6
[M]- 264.96055 137.6
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

patents stripe