CID 162213

Epoxy guaiene

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

6
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 143.7
[M+Na]+ 243.17193 151.6
[M-H]- 219.17543 152.5
[M+NH4]+ 238.21653 162.1
[M+K]+ 259.14587 152.4
[M+H-H2O]+ 203.17997 140.1
[M+HCOO]- 265.18091 160.1
[M+CH3COO]- 279.19656 156.2
[M+Na-2H]- 241.15738 148.3
[M]+ 220.18216 143.3
[M]- 220.18326 143.3
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