CID 17024798

1431970-23-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

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

InChI

InChI=1S/C12H14N2/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14/h2-10H,13H2,1H3

InChIKey

MRPLWYVUULIYMY-UHFFFAOYSA-N

Compound name

1-(3-pyrrol-1-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 186.11569 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]+	187.12297	141.9
[M+Na]+	209.10491	154.5
[M+NH4]+	204.14951	151.0
[M+K]+	225.07885	149.4
[M-H]-	185.10841	146.2
[M+Na-2H]-	207.09036	150.5
[M]+	186.11514	144.9
[M]-	186.11624	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe