CID 3051366

Brn 1647625

Structural Information

Molecular Formula
C17H30O6
SMILES
CCCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C17H30O6/c1-6-7-8-9-18-13-12(11-10-19-16(2,3)21-11)20-15-14(13)22-17(4,5)23-15/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14?,15?/m1/s1
InChIKey
XIFPTYYNPGOLNC-DYALKNRASA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-pentoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.20422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21150 171.5
[M+Na]+ 353.19344 178.8
[M+NH4]+ 348.23804 180.4
[M+K]+ 369.16738 178.4
[M-H]- 329.19694 178.3
[M+Na-2H]- 351.17889 171.5
[M]+ 330.20367 174.7
[M]- 330.20477 174.7
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.