CID 223279

5-(ethoxycarbonyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOC(=O)C1=C(C(=C(N1)C)C(=O)O)C
InChI
InChI=1S/C10H13NO4/c1-4-15-10(14)8-5(2)7(9(12)13)6(3)11-8/h11H,4H2,1-3H3,(H,12,13)
InChIKey
VZZQCXPDRSMKPM-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

211.08446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 146.9
[M+Na]+ 234.07368 155.8
[M+NH4]+ 229.11828 151.9
[M+K]+ 250.04762 154.8
[M-H]- 210.07718 144.5
[M+Na-2H]- 232.05913 148.2
[M]+ 211.08391 146.9
[M]- 211.08501 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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