CID 99294

3-amino-n,n-dimethylbenzylamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CN(C)CC1=CC(=CC=C1)N

InChI

InChI=1S/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3

InChIKey

WOJBIBHVUSZAGS-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 513
Patents: 150.11569 Da
Monoisotopic Mass: 0.7
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]+	151.122966	132.3
[M+Na]+	173.104908	139.1
[M-H]-	149.108414	137.1
[M+NH4]+	168.149513	153.6
[M+K]+	189.078848	138.2
[M+H-H2O]+	133.112950	126.0
[M+HCOO]-	195.113891	158.8
[M+CH3COO]-	209.129541	185.0
[M+Na-2H]-	171.090356	138.5
[M]+	150.11514142	131.3
[M]-	150.11623858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe