CID 4107

Methocarbamol

Structural Information

Molecular Formula

C₁₁H₁₅NO₅

SMILES

COC1=CC=CC=C1OCC(COC(=O)N)O

InChI

InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)

InChIKey

GNXFOGHNGIVQEH-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 275
References: 11697
Patents: 241.09502 Da
Monoisotopic Mass: 0.6
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]+	242.10230	152.6
[M+Na]+	264.08424	161.3
[M+NH4]+	259.12884	158.0
[M+K]+	280.05818	158.2
[M-H]-	240.08774	152.2
[M+Na-2H]-	262.06969	156.0
[M]+	241.09447	153.2
[M]-	241.09557	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe