CID 3055064

1:2,5:6-di-o-isopropylidene-3-o-propyl-alpha-d-glucofuranose

Structural Information

Molecular Formula
C15H26O6
SMILES
CCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12?,13?/m1/s1
InChIKey
WHYCYJUAIQNWPT-VFPQWFPESA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-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

302.17294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18022 165.1
[M+Na]+ 325.16216 172.6
[M-H]- 301.16566 175.3
[M+NH4]+ 320.20676 183.8
[M+K]+ 341.13610 176.6
[M+H-H2O]+ 285.17020 165.8
[M+HCOO]- 347.17114 179.9
[M+CH3COO]- 361.18679 203.4
[M+Na-2H]- 323.14761 168.2
[M]+ 302.17239 172.5
[M]- 302.17349 172.5
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.