CID 182298

2-[(2-ethyl-6-methylphenyl)amino]-1-propanol

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCC1=CC=CC(=C1NC(C)CO)C

InChI

InChI=1S/C12H19NO/c1-4-11-7-5-6-9(2)12(11)13-10(3)8-14/h5-7,10,13-14H,4,8H2,1-3H3

InChIKey

ALFXNLHLMQREPR-UHFFFAOYSA-N

Compound name

2-(2-ethyl-6-methylanilino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 10
Patents: 193.14667 Da
Monoisotopic Mass: 2.8
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]+	194.153946	145.4
[M+Na]+	216.135888	151.8
[M-H]-	192.139394	147.8
[M+NH4]+	211.180493	164.4
[M+K]+	232.109828	149.3
[M+H-H2O]+	176.143930	139.6
[M+HCOO]-	238.144871	167.7
[M+CH3COO]-	252.160521	187.8
[M+Na-2H]-	214.121336	149.1
[M]+	193.14612142	145.3
[M]-	193.14721858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe