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
4
Annotation Hits

0
References

7
Patents

220.18271 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 143.7
[M+Na]+ 243.171928 151.6
[M-H]- 219.175434 152.5
[M+NH4]+ 238.216533 162.1
[M+K]+ 259.145868 152.4
[M+H-H2O]+ 203.179970 140.1
[M+HCOO]- 265.180911 160.1
[M+CH3COO]- 279.196561 156.2
[M+Na-2H]- 241.157376 148.3
[M]+ 220.18216142 143.3
[M]- 220.18325858 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