CID 737560

2405-01-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC1=CC=C(N1C2=CC=CC=C2N)C

InChI

InChI=1S/C12H14N2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13/h3-8H,13H2,1-2H3

InChIKey

ZCCGWYQXOIOJRO-UHFFFAOYSA-N

Compound name

2-(2,5-dimethylpyrrol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 186.11569 Da
Monoisotopic Mass: 2.4
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	140.4
[M+Na]+	209.10491	149.9
[M-H]-	185.10841	146.3
[M+NH4]+	204.14951	160.7
[M+K]+	225.07885	146.1
[M+H-H2O]+	169.11295	133.4
[M+HCOO]-	231.11389	165.4
[M+CH3COO]-	245.12954	186.1
[M+Na-2H]-	207.09036	144.3
[M]+	186.11514	139.6
[M]-	186.11624	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe