CID 882501

1-(4-methoxyphenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

COC1=CC=C(C=C1)N2C=CC=C2C=O

InChI

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

InChIKey

VBOUNTHJXKGWSS-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)pyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 201.07898 Da
Monoisotopic Mass: 2.1
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]+	202.086256	141.4
[M+Na]+	224.068198	150.9
[M-H]-	200.071704	147.4
[M+NH4]+	219.112803	161.2
[M+K]+	240.042138	148.1
[M+H-H2O]+	184.076240	134.2
[M+HCOO]-	246.077181	166.6
[M+CH3COO]-	260.092831	184.0
[M+Na-2H]-	222.053646	146.6
[M]+	201.07843142	144.0
[M]-	201.07952858	144.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.