CID 11528441

203448-76-4

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)CC(C)C1=CC=CC=C1N

InChI

InChI=1S/C12H19N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h4-7,9-10H,8,13H2,1-3H3

InChIKey

LPZZJKBLKQOBMZ-UHFFFAOYSA-N

Compound name

2-(4-methylpentan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 177.15175 Da
Monoisotopic Mass: 3.5
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]+	178.15903	142.9
[M+Na]+	200.14097	148.6
[M-H]-	176.14447	145.9
[M+NH4]+	195.18557	162.7
[M+K]+	216.11491	146.6
[M+H-H2O]+	160.14901	136.9
[M+HCOO]-	222.14995	164.9
[M+CH3COO]-	236.16560	187.4
[M+Na-2H]-	198.12642	145.5
[M]+	177.15120	141.2
[M]-	177.15230	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe