CID 28878

Hercules 9200

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

CNC(=O)OC1=CC=CC(=C1)OCOC

InChI

InChI=1S/C10H13NO4/c1-11-10(12)15-9-5-3-4-8(6-9)14-7-13-2/h3-6H,7H2,1-2H3,(H,11,12)

InChIKey

MKTORMQQILZHLO-UHFFFAOYSA-N

Compound name

[3-(methoxymethoxy)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 211.08446 Da
Monoisotopic Mass: 1.3
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	143.8
[M+Na]+	234.073678	150.8
[M-H]-	210.077184	147.6
[M+NH4]+	229.118283	162.4
[M+K]+	250.047618	150.6
[M+H-H2O]+	194.081720	137.2
[M+HCOO]-	256.082661	169.2
[M+CH3COO]-	270.098311	187.2
[M+Na-2H]-	232.059126	149.9
[M]+	211.08391142	148.0
[M]-	211.08500858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe