CID 3051359

Glucofuranose, 1:2,5:6-di-o-isopropylidene-3-o-propargyl-, alpha-d-

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]+ 299.148906 150.2
[M+Na]+ 321.130848 162.1
[M-H]- 297.134354 157.7
[M+NH4]+ 316.175453 167.1
[M+K]+ 337.104788 160.6
[M+H-H2O]+ 281.138890 143.8
[M+HCOO]- 343.139831 160.9
[M+CH3COO]- 357.155481 207.8
[M+Na-2H]- 319.116296 153.9
[M]+ 298.14108142 151.6
[M]- 298.14217858 151.6
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.