CID 7067

91-88-3

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCN(CCO)C1=CC=CC(=C1)C

InChI

InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3

InChIKey

KRNUKKZDGDAWBF-UHFFFAOYSA-N

Compound name

2-(N-ethyl-3-methylanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 946
Patents: 179.13101 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]+	180.13829	140.6
[M+Na]+	202.12023	147.0
[M-H]-	178.12373	144.2
[M+NH4]+	197.16483	160.7
[M+K]+	218.09417	145.6
[M+H-H2O]+	162.12827	134.5
[M+HCOO]-	224.12921	164.8
[M+CH3COO]-	238.14486	186.2
[M+Na-2H]-	200.10568	146.1
[M]+	179.13046	141.7
[M]-	179.13156	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe