CID 77127

Decyl 2-cyanoacrylate

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CCCCCCCCCCOC(=O)C(=C)C#N

InChI

InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)13(2)12-15/h2-11H2,1H3

InChIKey

KWKVJEUILVQMRR-UHFFFAOYSA-N

Compound name

decyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
Patents: 237.17288 Da
Monoisotopic Mass: 5.1
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]+	238.180156	156.1
[M+Na]+	260.162098	162.4
[M-H]-	236.165604	155.9
[M+NH4]+	255.206703	172.2
[M+K]+	276.136038	160.4
[M+H-H2O]+	220.170140	143.9
[M+HCOO]-	282.171081	173.3
[M+CH3COO]-	296.186731	206.4
[M+Na-2H]-	258.147546	157.1
[M]+	237.17233142	155.3
[M]-	237.17342858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe