CID 5752

Oxyfenamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CCC(COC(=O)N)(C1=CC=CC=C1)O

InChI

InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)

InChIKey

WAFIYOULDIWAKR-UHFFFAOYSA-N

Compound name

(2-hydroxy-2-phenylbutyl) carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 491
Patents: 209.1052 Da
Monoisotopic Mass: 1.1
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]+	210.112476	146.8
[M+Na]+	232.094418	152.4
[M-H]-	208.097924	148.4
[M+NH4]+	227.139023	164.2
[M+K]+	248.068358	150.6
[M+H-H2O]+	192.102460	140.9
[M+HCOO]-	254.103401	167.9
[M+CH3COO]-	268.119051	184.7
[M+Na-2H]-	230.079866	152.2
[M]+	209.10465142	146.2
[M]-	209.10574858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe