CID 12586115

1904-62-7

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CN(C)CC1=CC=CC=C1N

InChI

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

InChIKey

XQWHZHODENELCJ-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 150.11569 Da
Monoisotopic Mass: 1.1
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]+	151.12297	132.3
[M+Na]+	173.10491	139.1
[M-H]-	149.10841	137.1
[M+NH4]+	168.14951	153.6
[M+K]+	189.07885	138.2
[M+H-H2O]+	133.11295	126.0
[M+HCOO]-	195.11389	158.8
[M+CH3COO]-	209.12954	185.0
[M+Na-2H]-	171.09036	138.5
[M]+	150.11514	131.3
[M]-	150.11624	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe