CID 104499

2-ethyl-6-isopropylaniline

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCC1=C(C(=CC=C1)C(C)C)N

InChI

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

InChIKey

OTZUSNPBNWUXCQ-UHFFFAOYSA-N

Compound name

2-ethyl-6-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 163.1361 Da
Monoisotopic Mass: 2.9
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	137.3
[M+Na]+	186.125318	144.7
[M-H]-	162.128824	140.8
[M+NH4]+	181.169923	158.1
[M+K]+	202.099258	142.5
[M+H-H2O]+	146.133360	131.8
[M+HCOO]-	208.134301	160.6
[M+CH3COO]-	222.149951	184.7
[M+Na-2H]-	184.110766	141.1
[M]+	163.13555142	136.3
[M]-	163.13664858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe