CID 46093

Ar-28

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C1=CC(=CC=C1)OC(=O)NC)N(C)C

InChI

InChI=1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)

InChIKey

KQOUPMYYRQWZLI-UHFFFAOYSA-N

Compound name

[3-[1-(dimethylamino)ethyl]phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 103
Patents: 222.13683 Da
Monoisotopic Mass: 1.6
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]+	223.144106	152.0
[M+Na]+	245.126048	157.4
[M-H]-	221.129554	157.0
[M+NH4]+	240.170653	170.5
[M+K]+	261.099988	157.6
[M+H-H2O]+	205.134090	145.0
[M+HCOO]-	267.135031	176.8
[M+CH3COO]-	281.150681	198.4
[M+Na-2H]-	243.111496	155.2
[M]+	222.13628142	153.9
[M]-	222.13737858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe