CID 39595

Brn 2849591

Structural Information

Molecular Formula

C₁₄H₂₂N₂O

SMILES

CCCN(C)CC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H22N2O/c1-5-9-16(4)10-13(17)15-14-11(2)7-6-8-12(14)3/h6-8H,5,9-10H2,1-4H3,(H,15,17)

InChIKey

OTOTWRSMZMFDOD-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-[methyl(propyl)amino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.17322 Da
Monoisotopic Mass: 2.4
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]+	235.18050	157.3
[M+Na]+	257.16244	163.0
[M-H]-	233.16594	162.2
[M+NH4]+	252.20704	175.7
[M+K]+	273.13638	161.6
[M+H-H2O]+	217.17048	150.2
[M+HCOO]-	279.17142	182.2
[M+CH3COO]-	293.18707	203.3
[M+Na-2H]-	255.14789	159.9
[M]+	234.17267	159.6
[M]-	234.17377	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe