CID 13676065

786602-39-9

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC=C(C=C1)C(C)(C)CN

InChI

InChI=1S/C11H17N/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,8,12H2,1-3H3

InChIKey

QTFRWGMKUZJXQZ-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 163.1361 Da
Monoisotopic Mass: 2.5
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]+	164.143376	137.2
[M+Na]+	186.125318	144.4
[M-H]-	162.128824	140.6
[M+NH4]+	181.169923	157.9
[M+K]+	202.099258	142.1
[M+H-H2O]+	146.133360	132.0
[M+HCOO]-	208.134301	160.0
[M+CH3COO]-	222.149951	183.0
[M+Na-2H]-	184.110766	143.6
[M]+	163.13555142	136.0
[M]-	163.13664858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe