CID 13230650

2227804-07-9

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC(=C(C(=C1)C)[C@H](C)N)C

InChI

InChI=1S/C11H17N/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,12H2,1-4H3/t10-/m0/s1

InChIKey

LVIICDKJNNIEQG-JTQLQIEISA-N

Compound name

(1S)-1-(2,4,6-trimethylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 163.1361 Da
Monoisotopic Mass: 2.3
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	136.6
[M+Na]+	186.12532	145.0
[M-H]-	162.12882	140.6
[M+NH4]+	181.16992	157.8
[M+K]+	202.09926	142.8
[M+H-H2O]+	146.13336	131.4
[M+HCOO]-	208.13430	159.9
[M+CH3COO]-	222.14995	185.9
[M+Na-2H]-	184.11077	139.7
[M]+	163.13555	136.0
[M]-	163.13665	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe