CID 81757

Allyl 2-cyanoacrylate

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)C(=C)C#N

InChI

InChI=1S/C7H7NO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4H2

InChIKey

ITCZEZQMUWEPQP-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3499
Patents: 137.04768 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]+	138.05496	129.7
[M+Na]+	160.03690	139.0
[M+NH4]+	155.08150	133.1
[M+K]+	176.01084	131.5
[M-H]-	136.04040	121.1
[M+Na-2H]-	158.02235	130.3
[M]+	137.04713	127.4
[M]-	137.04823	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe