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 174.3
[M+Na]+ 353.19344 181.0
[M-H]- 329.19694 184.2
[M+NH4]+ 348.23804 191.9
[M+K]+ 369.16738 184.5
[M+H-H2O]+ 313.20148 174.7
[M+HCOO]- 375.20242 188.4
[M+CH3COO]- 389.21807 209.1
[M+Na-2H]- 351.17889 176.4
[M]+ 330.20367 182.3
[M]- 330.20477 182.3
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.