CID 200240

Ethylcyanocyclohexyl acetate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC1(CCCCC1OC(=O)C)C#N
InChI
InChI=1S/C11H17NO2/c1-3-11(8-12)7-5-4-6-10(11)14-9(2)13/h10H,3-7H2,1-2H3
InChIKey
KZFIGILTDRNYEJ-UHFFFAOYSA-N
Compound name
(2-cyano-2-ethylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.9
[M+Na]+ 218.11515 153.5
[M+NH4]+ 213.15975 149.6
[M+K]+ 234.08909 143.4
[M-H]- 194.11865 137.8
[M+Na-2H]- 216.10060 146.9
[M]+ 195.12538 142.7
[M]- 195.12648 142.7
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.