CID 4944

Propoxur

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(C)OC1=CC=CC=C1OC(=O)NC

InChI

InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

InChIKey

ISRUGXGCCGIOQO-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 656
References: 39148
Patents: 209.1052 Da
Monoisotopic Mass: 1.5
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]+	210.11248	146.4
[M+Na]+	232.09442	157.0
[M+NH4]+	227.13902	153.5
[M+K]+	248.06836	152.2
[M-H]-	208.09792	147.8
[M+Na-2H]-	230.07987	151.9
[M]+	209.10465	148.0
[M]-	209.10575	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe