CID 3053442

Ethanol, (n-benzyl-n-ethyl)amino-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCN(CCO)CC1=CC=CC=C1

InChI

InChI=1S/C11H17NO/c1-2-12(8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3

InChIKey

NSGZJRLXAKBRPC-UHFFFAOYSA-N

Compound name

2-[benzyl(ethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 179.13101 Da
Monoisotopic Mass: 1.4
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	141.1
[M+Na]+	202.12023	152.6
[M+NH4]+	197.16483	149.8
[M+K]+	218.09417	145.7
[M-H]-	178.12373	144.0
[M+Na-2H]-	200.10568	148.2
[M]+	179.13046	143.4
[M]-	179.13156	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe