CID 838511

N1,n1,6-trimethylbenzene-1,3-diamine

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: 54
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]+	151.12297	132.2
[M+Na]+	173.10491	144.3
[M+NH4]+	168.14951	141.6
[M+K]+	189.07885	138.1
[M-H]-	149.10841	136.4
[M+Na-2H]-	171.09036	139.7
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe