CID 4548213

Methyl n-(2,5-dimethoxyphenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

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

InChI

InChI=1S/C10H13NO4/c1-13-7-4-5-9(14-2)8(6-7)11-10(12)15-3/h4-6H,1-3H3,(H,11,12)

InChIKey

XRRPQTSSRVGANE-UHFFFAOYSA-N

Compound name

methyl N-(2,5-dimethoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.08446 Da
Monoisotopic Mass: 1.8
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]+	212.09174	144.5
[M+Na]+	234.07368	155.6
[M+NH4]+	229.11828	151.3
[M+K]+	250.04762	150.9
[M-H]-	210.07718	145.7
[M+Na-2H]-	232.05913	149.9
[M]+	211.08391	146.1
[M]-	211.08501	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe