CID 134365

83843-49-6

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

CC1=C(C(=CC=C1)C)NCC(C)N(C)C

InChI

InChI=1S/C13H22N2/c1-10-7-6-8-11(2)13(10)14-9-12(3)15(4)5/h6-8,12,14H,9H2,1-5H3

InChIKey

LEUPJNFHCWHPOC-UHFFFAOYSA-N

Compound name

1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 25
Patents: 206.1783 Da
Monoisotopic Mass: 3.1
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]+	207.185576	150.6
[M+Na]+	229.167518	156.4
[M-H]-	205.171024	155.6
[M+NH4]+	224.212123	170.2
[M+K]+	245.141458	155.3
[M+H-H2O]+	189.175560	143.8
[M+HCOO]-	251.176501	175.3
[M+CH3COO]-	265.192151	199.9
[M+Na-2H]-	227.152966	153.7
[M]+	206.17775142	151.8
[M]-	206.17884858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe