CID 45918507

860701-50-4

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC=CC=C1C(C(C)C)N

InChI

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

InChIKey

KTSORSWDZIRSHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	164.14338	138.2
[M+Na]+	186.12532	144.4
[M-H]-	162.12882	141.4
[M+NH4]+	181.16992	158.6
[M+K]+	202.09926	142.6
[M+H-H2O]+	146.13336	132.4
[M+HCOO]-	208.13430	160.5
[M+CH3COO]-	222.14995	184.4
[M+Na-2H]-	184.11077	141.4
[M]+	163.13555	136.2
[M]-	163.13665	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe