CID 171119631

Clavuperoxylide b

Structural Information

Molecular Formula
C20H30O2
SMILES
C/C/1=C\CCC(=C)CC[C@@]2(CCC3=C2[C@@H](C1)OOC3(C)C)C
InChI
InChI=1S/C20H30O2/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)22-21-17)10-12-20(18,5)11-9-14/h8,17H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,20-/m1/s1
InChIKey
LAGJFCKHWJTZEM-BAZHHEEASA-N
Compound name
(1R,3E,10R)-3,10,14,14-tetramethyl-7-methylidene-15,16-dioxatricyclo[8.6.1.013,17]heptadeca-3,13(17)-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 171.4
[M+Na]+ 325.21380 178.0
[M-H]- 301.21730 174.4
[M+NH4]+ 320.25840 189.7
[M+K]+ 341.18774 176.8
[M+H-H2O]+ 285.22184 169.7
[M+HCOO]- 347.22278 183.2
[M+CH3COO]- 361.23843 181.4
[M+Na-2H]- 323.19925 173.2
[M]+ 302.22403 167.8
[M]- 302.22513 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.