CID 78384887

1a,5a-epoxy-11-guaiene

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC(CC23C1(O2)CCC3C)C(=C)C
InChI
InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3
InChIKey
RGRYQUWGSJPMMK-UHFFFAOYSA-N
Compound name
2,8-dimethyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 149.2
[M+Na]+ 243.17193 158.9
[M+NH4]+ 238.21653 160.6
[M+K]+ 259.14587 154.2
[M-H]- 219.17543 159.2
[M+Na-2H]- 241.15738 156.9
[M]+ 220.18216 154.8
[M]- 220.18326 154.8
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