CID 12270070

20041-74-1

Structural Information

Molecular Formula

SMILES

CC(=O)CNC

InChI

InChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3

InChIKey

UNCPWMREXAOVOD-UHFFFAOYSA-N

Compound name

1-(methylamino)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3416
Patents: 87.06841 Da
Monoisotopic Mass: -0.5
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]+	88.075686	115.7
[M+Na]+	110.05763	123.0
[M-H]-	86.061134	116.4
[M+NH4]+	105.10223	139.3
[M+K]+	126.03157	123.6
[M+H-H2O]+	70.065670	111.4
[M+HCOO]-	132.06661	140.6
[M+CH3COO]-	146.08226	167.7
[M+Na-2H]-	108.04308	122.9
[M]+	87.067861	115.5
[M]-	87.068959	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe