CID 6451616

2-butanone, 4-(octahydro-5,5,8a-trimethylspiro(naphthalene-2(1h),2'-oxiran)-1-yl)-

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(=O)CCC1C2(CCCC(C2CCC13CO3)(C)C)C
InChI
InChI=1S/C18H30O2/c1-13(19)6-7-15-17(4)10-5-9-16(2,3)14(17)8-11-18(15)12-20-18/h14-15H,5-12H2,1-4H3
InChIKey
GXWSUAHVPGIWCI-UHFFFAOYSA-N
Compound name
4-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 169.4
[M+Na]+ 301.213798 176.3
[M-H]- 277.217304 176.3
[M+NH4]+ 296.258403 186.5
[M+K]+ 317.187738 176.5
[M+H-H2O]+ 261.221840 164.5
[M+HCOO]- 323.222781 181.1
[M+CH3COO]- 337.238431 204.4
[M+Na-2H]- 299.199246 173.3
[M]+ 278.22403142 170.5
[M]- 278.22512858 170.5
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

No patent data available for this compound.