CID 81081

Propyl 2-cyanoacrylate

Structural Information

Molecular Formula

SMILES

CCCOC(=O)C(=C)C#N

InChI

InChI=1S/C7H9NO2/c1-3-4-10-7(9)6(2)5-8/h2-4H2,1H3

InChIKey

ZTYMNUBYYQNBFP-UHFFFAOYSA-N

Compound name

propyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1525
Patents: 139.06332 Da
Monoisotopic Mass: 1.5
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]+	140.07060	129.8
[M+Na]+	162.05254	139.1
[M+NH4]+	157.09714	133.4
[M+K]+	178.02648	131.7
[M-H]-	138.05604	121.4
[M+Na-2H]-	160.03799	130.5
[M]+	139.06277	127.6
[M]-	139.06387	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe