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
2
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 150.9
[M+Na]+ 243.17193 157.0
[M-H]- 219.17543 159.0
[M+NH4]+ 238.21653 162.8
[M+K]+ 259.14587 158.7
[M+H-H2O]+ 203.17997 147.7
[M+HCOO]- 265.18091 161.9
[M+CH3COO]- 279.19656 160.3
[M+Na-2H]- 241.15738 153.6
[M]+ 220.18216 151.8
[M]- 220.18326 151.8
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