CID 21786892

Methyl 5-formyl-4-phenyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC(=O)C1=CNC(=C1C2=CC=CC=C2)C=O
InChI
InChI=1S/C13H11NO3/c1-17-13(16)10-7-14-11(8-15)12(10)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKey
YUHSUEFTWUOBSJ-UHFFFAOYSA-N
Compound name
methyl 5-formyl-4-phenyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 150.9
[M+Na]+ 252.06312 163.3
[M+NH4]+ 247.10772 157.8
[M+K]+ 268.03706 159.3
[M-H]- 228.06662 152.6
[M+Na-2H]- 250.04857 157.5
[M]+ 229.07335 152.9
[M]- 229.07445 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.