CID 86273

2-n-tert-butyl-2,6-toluenediamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC1=C(C=CC=C1NC(C)(C)C)N

InChI

InChI=1S/C11H18N2/c1-8-9(12)6-5-7-10(8)13-11(2,3)4/h5-7,13H,12H2,1-4H3

InChIKey

BSKTXZVFRLLJML-UHFFFAOYSA-N

Compound name

3-N-tert-butyl-2-methylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 178.147 Da
Monoisotopic Mass: 2.6
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]+	179.15428	141.8
[M+Na]+	201.13622	153.0
[M+NH4]+	196.18082	150.3
[M+K]+	217.11016	147.0
[M-H]-	177.13972	144.9
[M+Na-2H]-	199.12167	148.4
[M]+	178.14645	144.2
[M]-	178.14755	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe