CID 275007

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.08446 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

No patent data available for this compound.