CID 78832

N-(butoxymethyl)methacrylamide

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCCCOCNC(=O)C(=C)C

InChI

InChI=1S/C9H17NO2/c1-4-5-6-12-7-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11)

InChIKey

ADGJZVKOKVENDN-UHFFFAOYSA-N

Compound name

N-(butoxymethyl)-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8022
Patents: 171.12593 Da
Monoisotopic Mass: 1.7
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]+	172.133206	141.0
[M+Na]+	194.115148	146.3
[M-H]-	170.118654	140.9
[M+NH4]+	189.159753	161.1
[M+K]+	210.089088	145.9
[M+H-H2O]+	154.123190	135.6
[M+HCOO]-	216.124131	163.8
[M+CH3COO]-	230.139781	184.2
[M+Na-2H]-	192.100596	144.2
[M]+	171.12538142	142.7
[M]-	171.12647858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe