CID 239188

Isopropyl n-(3-methoxyphenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(C)OC(=O)NC1=CC(=CC=C1)OC

InChI

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

InChIKey

RYNZNNRQNXTQDO-UHFFFAOYSA-N

Compound name

propan-2-yl N-(3-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.1052 Da
Monoisotopic Mass: 2.9
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]+	210.11248	146.2
[M+Na]+	232.09442	152.5
[M-H]-	208.09792	149.9
[M+NH4]+	227.13902	164.8
[M+K]+	248.06836	152.1
[M+H-H2O]+	192.10246	139.7
[M+HCOO]-	254.10340	170.0
[M+CH3COO]-	268.11905	189.0
[M+Na-2H]-	230.07987	150.4
[M]+	209.10465	148.6
[M]-	209.10575	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe