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

8
Annotation Hits: 303
References: 12384
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	152.1
[M+Na]+	264.08424	157.7
[M-H]-	240.08774	153.7
[M+NH4]+	259.12884	168.1
[M+K]+	280.05818	157.2
[M+H-H2O]+	224.09228	145.3
[M+HCOO]-	286.09322	174.2
[M+CH3COO]-	300.10887	190.9
[M+Na-2H]-	262.06969	154.9
[M]+	241.09447	154.6
[M]-	241.09557	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe