CID 6451183

Spiro(naphthalene-2(1h),2'-oxirane)-1-propanol, alpha-ethenyloctahydro-alpha,5,5,8a-tetramethyl-

Structural Information

Molecular Formula
C20H34O2
SMILES
CC1(CCCC2(C1CCC3(C2CCC(C)(C=C)O)CO3)C)C
InChI
InChI=1S/C20H34O2/c1-6-18(4,21)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16)14-22-20/h6,15-16,21H,1,7-14H2,2-5H3
InChIKey
KSDHFBZOHPERNV-UHFFFAOYSA-N
Compound name
5-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)-3-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 176.5
[M+Na]+ 329.24512 182.8
[M-H]- 305.24862 181.8
[M+NH4]+ 324.28972 192.1
[M+K]+ 345.21906 181.9
[M+H-H2O]+ 289.25316 172.4
[M+HCOO]- 351.25410 185.5
[M+CH3COO]- 365.26975 207.3
[M+Na-2H]- 327.23057 181.5
[M]+ 306.25535 176.9
[M]- 306.25645 176.9
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.