CID 66973757

2,6-dineopentylaniline

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

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

InChI

InChI=1S/C16H27N/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h7-9H,10-11,17H2,1-6H3

InChIKey

MVMYJQKKCVQHEN-UHFFFAOYSA-N

Compound name

2,6-bis(2,2-dimethylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 478
Patents: 233.21436 Da
Monoisotopic Mass: 5.2
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]+	234.22164	159.3
[M+Na]+	256.20358	165.9
[M-H]-	232.20708	162.6
[M+NH4]+	251.24818	177.8
[M+K]+	272.17752	162.9
[M+H-H2O]+	216.21162	154.1
[M+HCOO]-	278.21256	178.9
[M+CH3COO]-	292.22821	198.5
[M+Na-2H]-	254.18903	163.2
[M]+	233.21381	159.7
[M]-	233.21491	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe