CID 10775

Mephenesin carbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CC1=CC=CC=C1OCC(COC(=O)N)O

InChI

InChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)

InChIKey

KRPAJLYSLFNDOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1296
Patents: 225.10011 Da
Monoisotopic Mass: 1.4
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]+	226.107386	149.7
[M+Na]+	248.089328	155.5
[M-H]-	224.092834	151.4
[M+NH4]+	243.133933	166.5
[M+K]+	264.063268	154.4
[M+H-H2O]+	208.097370	143.2
[M+HCOO]-	270.098311	171.6
[M+CH3COO]-	284.113961	188.7
[M+Na-2H]-	246.074776	152.4
[M]+	225.09956142	150.8
[M]-	225.10065858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe