CID 48666

Ro 2-0925

Structural Information

Molecular Formula

C₁₂H₁₉N₂O₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1[N+](C)(C)C

InChI

InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-9-7-6-8-10(11)14(3,4)5/h6-9H,1-5H3/q+1

InChIKey

GICDQPRLPAUYFZ-UHFFFAOYSA-N

Compound name

[2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.14465 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]+	224.15193	147.9
[M+Na]+	246.13387	154.2
[M-H]-	222.13737	154.8
[M+NH4]+	241.17847	167.2
[M+K]+	262.10781	149.5
[M+H-H2O]+	206.14191	144.2
[M+HCOO]-	268.14285	173.2
[M+CH3COO]-	282.15850	193.3
[M+Na-2H]-	244.11932	156.2
[M]+	223.14410	150.0
[M]-	223.14520	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe