CID 118319

36385-60-1

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CNCCN2

InChI

InChI=1S/C13H19N3O/c1-9-4-3-5-10(2)12(9)16-13(17)11-8-14-6-7-15-11/h3-5,11,14-15H,6-8H2,1-2H3,(H,16,17)

InChIKey

ITXSFUYSLHKZFF-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)piperazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.15282 Da
Monoisotopic Mass: 1.2
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]+	234.160096	156.4
[M+Na]+	256.142038	160.6
[M-H]-	232.145544	156.9
[M+NH4]+	251.186643	169.6
[M+K]+	272.115978	155.8
[M+H-H2O]+	216.150080	148.0
[M+HCOO]-	278.151021	171.5
[M+CH3COO]-	292.166671	189.1
[M+Na-2H]-	254.127486	158.9
[M]+	233.15227142	148.2
[M]-	233.15336858	148.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.