CID 162213

Epoxyguaiene

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2=C1CC3(CCC2C)C(O3)(C)C
InChI
InChI=1S/C15H24O/c1-10-5-6-12-11(2)7-8-15(9-13(10)12)14(3,4)16-15/h10-11H,5-9H2,1-4H3
InChIKey
UNUMEFUKAQEVMS-UHFFFAOYSA-N
Compound name
1,3',3',4-tetramethylspiro[2,3,4,5,6,8-hexahydro-1H-azulene-7,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

220.18271 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 148.1
[M+Na]+ 243.17193 159.1
[M+NH4]+ 238.21653 160.1
[M+K]+ 259.14587 153.9
[M-H]- 219.17543 158.7
[M+Na-2H]- 241.15738 156.5
[M]+ 220.18216 154.2
[M]- 220.18326 154.2
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

patents stripe