CID 96002

Acetamide, n-((dimethylamino)methyl)-

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(=O)NCN(C)C

InChI

InChI=1S/C5H12N2O/c1-5(8)6-4-7(2)3/h4H2,1-3H3,(H,6,8)

InChIKey

JCCVVUYNOCEALA-UHFFFAOYSA-N

Compound name

N-[(dimethylamino)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 116.09496 Da
Monoisotopic Mass: -0.3
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]+	117.10224	124.8
[M+Na]+	139.08418	133.4
[M+NH4]+	134.12878	132.5
[M+K]+	155.05812	129.2
[M-H]-	115.08768	125.2
[M+Na-2H]-	137.06963	128.7
[M]+	116.09441	125.7
[M]-	116.09551	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe