CID 204325

16169-86-1

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(=O)OC(C#C)C1CCCCC1
InChI
InChI=1S/C11H16O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h1,10-11H,4-8H2,2H3
InChIKey
WRTQKWBSYQGIFV-UHFFFAOYSA-N
Compound name
1-cyclohexylprop-2-ynyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.1
[M+Na]+ 203.10426 147.8
[M-H]- 179.10776 142.5
[M+NH4]+ 198.14886 158.6
[M+K]+ 219.07820 144.8
[M+H-H2O]+ 163.11230 129.6
[M+HCOO]- 225.11324 154.3
[M+CH3COO]- 239.12889 189.2
[M+Na-2H]- 201.08971 142.5
[M]+ 180.11449 132.8
[M]- 180.11559 132.8
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

patents stripe