CID 23548

Ethyl (3-hydroxyphenyl)carbamate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CCOC(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)

InChIKey

KCLZXXMMEDEBMF-UHFFFAOYSA-N

Compound name

ethyl N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 97
Patents: 181.0739 Da
Monoisotopic Mass: 1.9
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]+	182.08118	137.8
[M+Na]+	204.06312	148.7
[M+NH4]+	199.10772	145.1
[M+K]+	220.03706	143.7
[M-H]-	180.06662	139.0
[M+Na-2H]-	202.04857	143.5
[M]+	181.07335	139.4
[M]-	181.07445	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe