CID 3056575

73806-37-8

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC/C(=C(\C#N)/C(=O)OCC)/C1CCCCC1
InChI
InChI=1S/C14H21NO2/c1-3-12(11-8-6-5-7-9-11)13(10-15)14(16)17-4-2/h11H,3-9H2,1-2H3/b13-12-
InChIKey
MYNXVNNFXVBDLI-SEYXRHQNSA-N
Compound name
ethyl (Z)-2-cyano-3-cyclohexylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 157.5
[M+Na]+ 258.146448 162.5
[M-H]- 234.149954 159.5
[M+NH4]+ 253.191053 173.1
[M+K]+ 274.120388 159.7
[M+H-H2O]+ 218.154490 144.9
[M+HCOO]- 280.155431 171.2
[M+CH3COO]- 294.171081 203.4
[M+Na-2H]- 256.131896 156.8
[M]+ 235.15668142 149.7
[M]- 235.15777858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.