CID 82744

Isopropyl cyanoacrylate

Structural Information

Molecular Formula

SMILES

CC(C)OC(=O)C(=C)C#N

InChI

InChI=1S/C7H9NO2/c1-5(2)10-7(9)6(3)4-8/h5H,3H2,1-2H3

InChIKey

SQGOMFWCSGKGEP-UHFFFAOYSA-N

Compound name

propan-2-yl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 774
Patents: 139.06332 Da
Monoisotopic Mass: 1.4
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	129.6
[M+Na]+	162.05254	138.6
[M+NH4]+	157.09714	133.1
[M+K]+	178.02648	132.0
[M-H]-	138.05604	121.0
[M+Na-2H]-	160.03799	130.1
[M]+	139.06277	127.3
[M]-	139.06387	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe