CID 11132254

Dtxsid401025594

Structural Information

Molecular Formula
C21H32O5
SMILES
CCOC(C)OC(C)(C=C)C#CC1(C(=C2C(CC1(C)C)OC(O2)C)C)O
InChI
InChI=1S/C21H32O5/c1-9-20(8,26-15(4)23-10-2)11-12-21(22)14(3)18-17(13-19(21,6)7)24-16(5)25-18/h9,15-17,22H,1,10,13H2,2-8H3
InChIKey
RZEIWRMMULENKX-UHFFFAOYSA-N
Compound name
5-[3-(1-ethoxyethoxy)-3-methylpent-4-en-1-ynyl]-2,4,6,6-tetramethyl-7,7a-dihydro-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

364.22498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.232256 182.7
[M+Na]+ 387.214198 192.6
[M-H]- 363.217704 185.3
[M+NH4]+ 382.258803 198.0
[M+K]+ 403.188138 188.4
[M+H-H2O]+ 347.222240 173.8
[M+HCOO]- 409.223181 190.6
[M+CH3COO]- 423.238831 219.9
[M+Na-2H]- 385.199646 184.5
[M]+ 364.22443142 182.9
[M]- 364.22552858 182.9
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

patents stripe