CID 838511

(5-amino-2-methylphenyl)dimethylamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

InChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3

InChIKey

BZFRCCRHMACPGO-UHFFFAOYSA-N

Compound name

3-N,3-N,4-trimethylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 61
Patents: 150.11569 Da
Monoisotopic Mass: 0.9
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	132.0
[M+Na]+	173.104908	139.8
[M-H]-	149.108414	137.2
[M+NH4]+	168.149513	153.7
[M+K]+	189.078848	138.9
[M+H-H2O]+	133.112950	126.0
[M+HCOO]-	195.113891	158.5
[M+CH3COO]-	209.129541	186.1
[M+Na-2H]-	171.090356	137.5
[M]+	150.11514142	131.4
[M]-	150.11623858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe