CID 2764415

5-methoxy-2-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

COC1=CC(=C(C=C1)N2C=CC=C2)N

InChI

InChI=1S/C11H12N2O/c1-14-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3

InChIKey

LKSVZBCORDEARF-UHFFFAOYSA-N

Compound name

5-methoxy-2-pyrrol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 188.09496 Da
Monoisotopic Mass: 1.6
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]+	189.102236	139.0
[M+Na]+	211.084178	147.9
[M-H]-	187.087684	144.7
[M+NH4]+	206.128783	158.8
[M+K]+	227.058118	144.8
[M+H-H2O]+	171.092220	131.7
[M+HCOO]-	233.093161	164.6
[M+CH3COO]-	247.108811	184.0
[M+Na-2H]-	209.069626	144.2
[M]+	188.09441142	138.9
[M]-	188.09550858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe