CID 12459973

5-(methoxycarbonyl)-1-methyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
CN1C=C(C=C1C(=O)OC)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-9-4-5(7(10)11)3-6(9)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
CBVPLFMDARRGMK-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

183.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 137.7
[M+Na]+ 206.04238 147.2
[M+NH4]+ 201.08698 143.4
[M+K]+ 222.01632 146.2
[M-H]- 182.04588 135.9
[M+Na-2H]- 204.02783 140.4
[M]+ 183.05261 138.1
[M]- 183.05371 138.1
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