CID 3051359

Brn 4500642

Structural Information

Molecular Formula
C15H22O6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCC#C)C
InChI
InChI=1S/C15H22O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h1,9-13H,7-8H2,2-5H3/t9-,10-,11+,12?,13?/m1/s1
InChIKey
CMSVSPZBOGFNKC-VFPQWFPESA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-ynoxy-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

298.14163 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 155.5
[M+Na]+ 321.13085 163.6
[M+NH4]+ 316.17545 160.9
[M+K]+ 337.10479 160.4
[M-H]- 297.13435 153.6
[M+Na-2H]- 319.11630 154.0
[M]+ 298.14108 155.5
[M]- 298.14218 155.5
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.