CID 9793951

Methoxypropyl cyanoacrylate

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

COCCCOC(=O)C(=C)C#N

InChI

InChI=1S/C8H11NO3/c1-7(6-9)8(10)12-5-3-4-11-2/h1,3-5H2,2H3

InChIKey

PFSVSOOFNDBGMO-UHFFFAOYSA-N

Compound name

3-methoxypropyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 363
Patents: 169.0739 Da
Monoisotopic Mass: 0.8
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]+	170.081176	134.1
[M+Na]+	192.063118	142.5
[M-H]-	168.066624	134.9
[M+NH4]+	187.107723	152.6
[M+K]+	208.037058	142.6
[M+H-H2O]+	152.071160	122.7
[M+HCOO]-	214.072101	153.2
[M+CH3COO]-	228.087751	192.0
[M+Na-2H]-	190.048566	137.9
[M]+	169.07335142	132.5
[M]-	169.07444858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe