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
1
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]+ 365.23226 182.7
[M+Na]+ 387.21420 192.6
[M-H]- 363.21770 185.3
[M+NH4]+ 382.25880 198.0
[M+K]+ 403.18814 188.4
[M+H-H2O]+ 347.22224 173.8
[M+HCOO]- 409.22318 190.6
[M+CH3COO]- 423.23883 219.9
[M+Na-2H]- 385.19965 184.5
[M]+ 364.22443 182.9
[M]- 364.22553 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