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

15
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 143.7
[M+Na]+ 243.171928 149.6
[M-H]- 219.175434 152.2
[M+NH4]+ 238.216533 161.2
[M+K]+ 259.145868 150.5
[M+H-H2O]+ 203.179970 139.5
[M+HCOO]- 265.180911 158.7
[M+CH3COO]- 279.196561 155.4
[M+Na-2H]- 241.157376 146.6
[M]+ 220.18216142 141.4
[M]- 220.18325858 141.4
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