CID 648465

247225-33-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

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

InChI

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

InChIKey

PFZUTDHSWLXVSZ-UHFFFAOYSA-N

Compound name

3-(2,5-dimethylpyrrol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
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	141.4
[M+Na]+	209.10491	155.1
[M+NH4]+	204.14951	150.6
[M+K]+	225.07885	149.6
[M-H]-	185.10841	146.0
[M+Na-2H]-	207.09036	149.8
[M]+	186.11514	144.6
[M]-	186.11624	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe