CID 528759

Aromadendrene epoxide

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C1C3C(C3(C)C)CCC24CO4
InChI
InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3
InChIKey
XPGWKKLDFXNBPJ-UHFFFAOYSA-N
Compound name
1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 131.6
[M+Na]+ 243.17193 142.5
[M+NH4]+ 238.21653 143.1
[M+K]+ 259.14587 140.2
[M-H]- 219.17543 146.6
[M+Na-2H]- 241.15738 141.6
[M]+ 220.18216 139.6
[M]- 220.18326 139.6
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