CID 4548213

131451-76-8

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: 2
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]+	212.091736	143.3
[M+Na]+	234.073678	151.2
[M-H]-	210.077184	147.5
[M+NH4]+	229.118283	162.2
[M+K]+	250.047618	151.2
[M+H-H2O]+	194.081720	137.0
[M+HCOO]-	256.082661	168.8
[M+CH3COO]-	270.098311	188.4
[M+Na-2H]-	232.059126	148.8
[M]+	211.08391142	147.9
[M]-	211.08500858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe