CID 216389

Trans-3-vinylcyclohexyl acetate

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=O)O[C@@H]1CCC[C@H](C1)C=C
InChI
InChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3/t9-,10-/m1/s1
InChIKey
MFFQZYIDSYOHOP-NXEZZACHSA-N
Compound name
[(1R,3R)-3-ethenylcyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.4
[M+Na]+ 191.104258 142.6
[M-H]- 167.107764 140.3
[M+NH4]+ 186.148863 157.8
[M+K]+ 207.078198 141.5
[M+H-H2O]+ 151.112300 132.0
[M+HCOO]- 213.113241 157.2
[M+CH3COO]- 227.128891 179.0
[M+Na-2H]- 189.089706 140.3
[M]+ 168.11449142 134.5
[M]- 168.11558858 134.5
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.