CID 94109

N,n-bis(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1=CC=C(C=C1)C(=O)N(CCO)CCO

InChI

InChI=1S/C11H15NO3/c13-8-6-12(7-9-14)11(15)10-4-2-1-3-5-10/h1-5,13-14H,6-9H2

InChIKey

LOTWRKOXHCMWDB-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 421
Patents: 209.1052 Da
Monoisotopic Mass: -0.9
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]+	210.112476	146.9
[M+Na]+	232.094418	151.8
[M-H]-	208.097924	148.7
[M+NH4]+	227.139023	164.4
[M+K]+	248.068358	150.4
[M+H-H2O]+	192.102460	140.4
[M+HCOO]-	254.103401	169.2
[M+CH3COO]-	268.119051	185.9
[M+Na-2H]-	230.079866	151.3
[M]+	209.10465142	147.1
[M]-	209.10574858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe