CID 20788

Phenethylcarbamic acid, 2-hydroxyethyl ester

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1=CC=C(C=C1)CCNC(=O)OCCO

InChI

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

InChIKey

CPWQOZLYLRZNCW-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-(2-phenylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.1052 Da
Monoisotopic Mass: 1.2
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	146.5
[M+Na]+	232.094418	151.8
[M-H]-	208.097924	148.3
[M+NH4]+	227.139023	164.2
[M+K]+	248.068358	149.9
[M+H-H2O]+	192.102460	139.9
[M+HCOO]-	254.103401	169.9
[M+CH3COO]-	268.119051	184.3
[M+Na-2H]-	230.079866	152.2
[M]+	209.10465142	147.3
[M]-	209.10574858	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.