CID 162248

37172-02-4

Structural Information

Molecular Formula
C14H24O2
SMILES
CCC(C)C1CCCCC1(C=C)OC(=O)C
InChI
InChI=1S/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3
InChIKey
KOSQMCNVEGXSCQ-UHFFFAOYSA-N
Compound name
(2-butan-2-yl-1-ethenylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

311
Patents

224.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 156.2
[M+Na]+ 247.16685 165.4
[M+NH4]+ 242.21145 165.0
[M+K]+ 263.14079 157.7
[M-H]- 223.17035 157.0
[M+Na-2H]- 245.15230 160.5
[M]+ 224.17708 157.6
[M]- 224.17818 157.6
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

patents stripe