CID 15817

N-(butoxymethyl)acrylamide

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCCCOCNC(=O)C=C

InChI

InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)

InChIKey

UTSYWKJYFPPRAP-UHFFFAOYSA-N

Compound name

N-(butoxymethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 14355
Patents: 157.11028 Da
Monoisotopic Mass: 1.3
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]+	158.11756	135.8
[M+Na]+	180.09950	141.8
[M-H]-	156.10300	135.8
[M+NH4]+	175.14410	156.5
[M+K]+	196.07344	141.1
[M+H-H2O]+	140.10754	130.6
[M+HCOO]-	202.10848	159.9
[M+CH3COO]-	216.12413	180.3
[M+Na-2H]-	178.08495	140.8
[M]+	157.10973	137.8
[M]-	157.11083	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe