CID 519003

Methyl n-(4-methoxyphenyl)carbamate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC1=CC=C(C=C1)NC(=O)OC

InChI

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

InChIKey

XULGIYKLMVSIEC-UHFFFAOYSA-N

Compound name

methyl N-(4-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 181.0739 Da
Monoisotopic Mass: 1.7
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	137.3
[M+Na]+	204.06312	148.8
[M+NH4]+	199.10772	145.0
[M+K]+	220.03706	143.5
[M-H]-	180.06662	139.1
[M+Na-2H]-	202.04857	143.7
[M]+	181.07335	139.2
[M]-	181.07445	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe