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]+ 279.23186 169.4
[M+Na]+ 301.21380 176.3
[M-H]- 277.21730 176.3
[M+NH4]+ 296.25840 186.5
[M+K]+ 317.18774 176.5
[M+H-H2O]+ 261.22184 164.5
[M+HCOO]- 323.22278 181.1
[M+CH3COO]- 337.23843 204.4
[M+Na-2H]- 299.19925 173.3
[M]+ 278.22403 170.5
[M]- 278.22513 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.