CID 82411

Cyclohexyl 2-cyanoacrylate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C=C(C#N)C(=O)OC1CCCCC1

InChI

InChI=1S/C10H13NO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h9H,1-6H2

InChIKey

ILRMPAUJTPZAIQ-UHFFFAOYSA-N

Compound name

cyclohexyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 491
Patents: 179.09464 Da
Monoisotopic Mass: 2.4
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]+	180.101916	140.3
[M+Na]+	202.083858	147.0
[M-H]-	178.087364	142.9
[M+NH4]+	197.128463	157.9
[M+K]+	218.057798	144.7
[M+H-H2O]+	162.091900	128.3
[M+HCOO]-	224.092841	156.1
[M+CH3COO]-	238.108491	192.4
[M+Na-2H]-	200.069306	142.7
[M]+	179.09409142	131.9
[M]-	179.09518858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe