CID 5142464

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

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

COC(=O)C1=CNC=C1C2=CC=CC=C2

InChI

InChI=1S/C12H11NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-8,13H,1H3

InChIKey

IQUXHEPTOZFPQJ-UHFFFAOYSA-N

Compound name

methyl 4-phenyl-1H-pyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 201.07898 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.08626	144.2
[M+Na]+	224.06820	156.9
[M+NH4]+	219.11280	152.2
[M+K]+	240.04214	152.5
[M-H]-	200.07170	146.7
[M+Na-2H]-	222.05365	151.9
[M]+	201.07843	146.6
[M]-	201.07953	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe