CID 533455

2427-03-4

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CNC1=CC=CC=C1N(C)C

InChI

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

InChIKey

BXBFTMKSQSKHMF-UHFFFAOYSA-N

Compound name

1-N,2-N,2-N-trimethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 150.11569 Da
Monoisotopic Mass: 2.0
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	132.4
[M+Na]+	173.10491	144.4
[M+NH4]+	168.14951	141.9
[M+K]+	189.07885	137.8
[M-H]-	149.10841	136.7
[M+Na-2H]-	171.09036	140.6
[M]+	150.11514	135.3
[M]-	150.11624	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe