CID 197892

N-hydroxymethyl baygon

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

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

InChI

InChI=1S/C11H15NO4/c1-8(2)15-9-5-3-4-6-10(9)16-11(14)12-7-13/h3-6,8,13H,7H2,1-2H3,(H,12,14)

InChIKey

YCJMZNCUUBNJPT-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyphenyl) N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.10011 Da
Monoisotopic Mass: 0.9
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]+	226.10739	149.4
[M+Na]+	248.08933	155.2
[M-H]-	224.09283	151.7
[M+NH4]+	243.13393	166.6
[M+K]+	264.06327	154.5
[M+H-H2O]+	208.09737	142.9
[M+HCOO]-	270.09831	171.9
[M+CH3COO]-	284.11396	188.6
[M+Na-2H]-	246.07478	153.1
[M]+	225.09956	151.4
[M]-	225.10066	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.