CID 47014

Ar-36

Structural Information

Molecular Formula

C₁₃H₂₁N₂O₂

SMILES

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

InChI

InChI=1S/C13H21N2O2/c1-6-14(2)13(16)17-12-9-7-8-11(10-12)15(3,4)5/h7-10H,6H2,1-5H3/q+1

InChIKey

DECSDBPOXNMWMD-UHFFFAOYSA-N

Compound name

[3-[ethyl(methyl)carbamoyl]oxyphenyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.16031 Da
Monoisotopic Mass: 2.0
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]+	238.16759	153.2
[M+Na]+	260.14953	165.7
[M+NH4]+	255.19413	162.0
[M+K]+	276.12347	161.2
[M-H]-	236.15303	157.7
[M+Na-2H]-	258.13498	160.7
[M]+	237.15976	156.6
[M]-	237.16086	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe