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: 13
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]+	187.122966	141.1
[M+Na]+	209.104908	148.4
[M-H]-	185.108414	146.3
[M+NH4]+	204.149513	160.7
[M+K]+	225.078848	145.0
[M+H-H2O]+	169.112950	133.6
[M+HCOO]-	231.113891	165.1
[M+CH3COO]-	245.129541	184.7
[M+Na-2H]-	207.090356	145.2
[M]+	186.11514142	138.9
[M]-	186.11623858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe