CID 131751920

Shyobunyl acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(C)C1CCC(C(C1OC(=O)C)C(=C)C)(C)C=C
InChI
InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11(2)3)16(19-13(6)18)15(17)12(4)5/h8,11,14-16H,1,4,9-10H2,2-3,5-7H3
InChIKey
YDQZSIGUGOIRSL-UHFFFAOYSA-N
Compound name
(3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 166.6
[M+Na]+ 287.19814 175.6
[M+NH4]+ 282.24274 174.5
[M+K]+ 303.17208 168.5
[M-H]- 263.20164 166.9
[M+Na-2H]- 285.18359 169.4
[M]+ 264.20837 167.9
[M]- 264.20947 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.