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 162.2
[M+Na]+ 287.19814 167.1
[M-H]- 263.20164 165.0
[M+NH4]+ 282.24274 181.3
[M+K]+ 303.17208 165.1
[M+H-H2O]+ 247.20618 157.8
[M+HCOO]- 309.20712 177.8
[M+CH3COO]- 323.22277 203.1
[M+Na-2H]- 285.18359 159.3
[M]+ 264.20837 161.1
[M]- 264.20947 161.1
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.