CID 20983254

(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CN

InChI

InChI=1S/C13H16N2/c1-10-8-12(9-14)11(2)15(10)13-6-4-3-5-7-13/h3-8H,9,14H2,1-2H3

InChIKey

KYEWCCAPMWWTDQ-UHFFFAOYSA-N

Compound name

(2,5-dimethyl-1-phenylpyrrol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.13135 Da
Monoisotopic Mass: 2.0
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]+	201.138626	145.0
[M+Na]+	223.120568	154.1
[M-H]-	199.124074	150.7
[M+NH4]+	218.165173	164.8
[M+K]+	239.094508	150.0
[M+H-H2O]+	183.128610	137.8
[M+HCOO]-	245.129551	169.7
[M+CH3COO]-	259.145201	189.1
[M+Na-2H]-	221.106016	148.4
[M]+	200.13080142	144.6
[M]-	200.13189858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.