CID 57939

1-cyclohexylprop-2-ynyl butanoate

Structural Information

Molecular Formula
C13H20O2
SMILES
CCCC(=O)OC(C#C)C1CCCCC1
InChI
InChI=1S/C13H20O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h2,11-12H,3,5-10H2,1H3
InChIKey
GOBXATJYRZJYRP-UHFFFAOYSA-N
Compound name
1-cyclohexylprop-2-ynyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 150.4
[M+Na]+ 231.13555 159.4
[M+NH4]+ 226.18015 154.5
[M+K]+ 247.10949 150.7
[M-H]- 207.13905 143.3
[M+Na-2H]- 229.12100 150.9
[M]+ 208.14578 148.6
[M]- 208.14688 148.6
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.