CID 69653

N-allylacetamide

Structural Information

Molecular Formula

SMILES

CC(=O)NCC=C

InChI

InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)

InChIKey

DVQCXAUFUOFSDW-UHFFFAOYSA-N

Compound name

N-prop-2-enylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 508
Patents: 99.06841 Da
Monoisotopic Mass: 0.2
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]+	100.07569	119.9
[M+Na]+	122.05763	129.7
[M+NH4]+	117.10223	127.7
[M+K]+	138.03157	124.5
[M-H]-	98.061134	119.6
[M+Na-2H]-	120.04308	123.9
[M]+	99.067861	120.9
[M]-	99.068959	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe