CID 821085

5-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC(=O)C1=CC=C(N1)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11)
InChIKey
BMQLZHDFXVPFKX-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

183.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 138.6
[M+Na]+ 206.04238 147.2
[M+NH4]+ 201.08698 144.0
[M+K]+ 222.01632 146.3
[M-H]- 182.04588 136.2
[M+Na-2H]- 204.02783 140.9
[M]+ 183.05261 138.6
[M]- 183.05371 138.6
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