CID 3056575

Ethyl 1-cyclohexylpropylidene cyanoacetate

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]+ 236.16451 157.5
[M+Na]+ 258.14645 162.5
[M-H]- 234.14995 159.5
[M+NH4]+ 253.19105 173.1
[M+K]+ 274.12039 159.7
[M+H-H2O]+ 218.15449 144.9
[M+HCOO]- 280.15543 171.2
[M+CH3COO]- 294.17108 203.4
[M+Na-2H]- 256.13190 156.8
[M]+ 235.15668 149.7
[M]- 235.15778 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.