CID 275007

Ethyl 5-carboxy-3,4-dimethyl-2-pyrrolecarboxylate

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 144.8
[M+Na]+ 234.07368 153.4
[M-H]- 210.07718 145.1
[M+NH4]+ 229.11828 163.1
[M+K]+ 250.04762 151.5
[M+H-H2O]+ 194.08172 139.4
[M+HCOO]- 256.08266 164.6
[M+CH3COO]- 270.09831 183.0
[M+Na-2H]- 232.05913 144.8
[M]+ 211.08391 146.6
[M]- 211.08501 146.6
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.