CID 5255901

5,8-epoxy-7(11),10(14)-guaiadien-8-ol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CCC2C13CC(=C(C)C)C(O3)(CC2=C)O
InChI
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3
InChIKey
DEBDFZGNZTYPMF-UHFFFAOYSA-N
Compound name
2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.2
[M+Na]+ 257.15121 163.3
[M-H]- 233.15471 159.6
[M+NH4]+ 252.19581 182.1
[M+K]+ 273.12515 159.7
[M+H-H2O]+ 217.15925 153.5
[M+HCOO]- 279.16019 169.8
[M+CH3COO]- 293.17584 190.5
[M+Na-2H]- 255.13666 157.3
[M]+ 234.16144 153.2
[M]- 234.16254 153.2
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.