CID 12958295

84995-19-7

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CNC1=CC(=CC=C1)N(C)C

InChI

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

InChIKey

OOIVVPYWLAIGDT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 150.11569 Da
Monoisotopic Mass: 1.9
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	131.8
[M+Na]+	173.104908	138.5
[M-H]-	149.108414	137.1
[M+NH4]+	168.149513	153.3
[M+K]+	189.078848	138.0
[M+H-H2O]+	133.112950	125.5
[M+HCOO]-	195.113891	158.9
[M+CH3COO]-	209.129541	185.7
[M+Na-2H]-	171.090356	139.1
[M]+	150.11514142	131.8
[M]-	150.11623858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe