CID 56320

Brn 2740383

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC1=CC=CC=C1N(CC(=O)N(C)C)C(=O)C

InChI

InChI=1S/C13H18N2O2/c1-10-7-5-6-8-12(10)15(11(2)16)9-13(17)14(3)4/h5-8H,9H2,1-4H3

InChIKey

AWKDRNMTKZVVQC-UHFFFAOYSA-N

Compound name

2-(N-acetyl-2-methylanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.13683 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]+	235.144106	154.8
[M+Na]+	257.126048	160.1
[M-H]-	233.129554	161.1
[M+NH4]+	252.170653	173.3
[M+K]+	273.099988	160.9
[M+H-H2O]+	217.134090	147.5
[M+HCOO]-	279.135031	179.9
[M+CH3COO]-	293.150681	204.1
[M+Na-2H]-	255.111496	156.8
[M]+	234.13628142	157.6
[M]-	234.13737858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe