CID 101557

92-11-5

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCN(CC(CO)O)C1=CC=CC(=C1)C

InChI

InChI=1S/C12H19NO2/c1-3-13(8-12(15)9-14)11-6-4-5-10(2)7-11/h4-7,12,14-15H,3,8-9H2,1-2H3

InChIKey

SJLAXYZNPAEOOM-UHFFFAOYSA-N

Compound name

3-(N-ethyl-3-methylanilino)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 209.14159 Da
Monoisotopic Mass: 1.5
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]+	210.14887	148.9
[M+Na]+	232.13081	159.2
[M+NH4]+	227.17541	156.4
[M+K]+	248.10475	153.9
[M-H]-	208.13431	150.5
[M+Na-2H]-	230.11626	154.1
[M]+	209.14104	150.6
[M]-	209.14214	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe