CID 12361760

Dimethyl 1h-pyrrole-2,5-dicarboxylate

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC(=O)C1=CC=C(N1)C(=O)OC
InChI
InChI=1S/C8H9NO4/c1-12-7(10)5-3-4-6(9-5)8(11)13-2/h3-4,9H,1-2H3
InChIKey
PMRHDIDDAMSGAA-UHFFFAOYSA-N
Compound name
dimethyl 1H-pyrrole-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 138.2
[M+Na]+ 206.04238 147.4
[M+NH4]+ 201.08698 144.0
[M+K]+ 222.01632 146.2
[M-H]- 182.04588 136.3
[M+Na-2H]- 204.02783 141.1
[M]+ 183.05261 138.5
[M]- 183.05371 138.5
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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