CID 520758

6-epi-shyobunol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)C1CCC(C(C1O)C(=C)C)(C)C=C
InChI
InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3
InChIKey
WOULTTPZJDSDEI-UHFFFAOYSA-N
Compound name
3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 153.2
[M+Na]+ 245.187578 158.5
[M-H]- 221.191084 155.0
[M+NH4]+ 240.232183 173.5
[M+K]+ 261.161518 155.6
[M+H-H2O]+ 205.195620 149.3
[M+HCOO]- 267.196561 168.6
[M+CH3COO]- 281.212211 193.0
[M+Na-2H]- 243.173026 151.8
[M]+ 222.19781142 149.4
[M]- 222.19890858 149.4
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