CID 80180020

4-(3,3-dimethylpyrrolidin-1-yl)aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1(CCN(C1)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C12H18N2/c1-12(2)7-8-14(9-12)11-5-3-10(13)4-6-11/h3-6H,7-9,13H2,1-2H3

InChIKey

ZIFSKTYQGDHGBG-UHFFFAOYSA-N

Compound name

4-(3,3-dimethylpyrrolidin-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.147 Da
Monoisotopic Mass: 2.7
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]+	191.15428	143.8
[M+Na]+	213.13622	155.4
[M+NH4]+	208.18082	154.4
[M+K]+	229.11016	148.4
[M-H]-	189.13972	148.0
[M+Na-2H]-	211.12167	152.3
[M]+	190.14645	146.7
[M]-	190.14755	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe