CID 17604049

4-methyl-3-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1=C(C=C(C=C1)N)N2CCCC2

InChI

InChI=1S/C11H16N2/c1-9-4-5-10(12)8-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

InChIKey

SUFHFYIZWSAJQL-UHFFFAOYSA-N

Compound name

4-methyl-3-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 176.13135 Da
Monoisotopic Mass: 2.2
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]+	177.13863	140.0
[M+Na]+	199.12057	151.6
[M+NH4]+	194.16517	149.3
[M+K]+	215.09451	146.6
[M-H]-	175.12407	144.2
[M+Na-2H]-	197.10602	147.1
[M]+	176.13080	142.7
[M]-	176.13190	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe