CID 3055065

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

Structural Information

Molecular Formula
C16H28O6
SMILES
CCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C16H28O6/c1-6-7-8-17-12-11(10-9-18-15(2,3)20-10)19-14-13(12)21-16(4,5)22-14/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13?,14?/m1/s1
InChIKey
KNYPSITXAJZDKY-BFKVFCTQSA-N
Compound name
(5R,6S)-6-butoxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-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

316.1886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.195876 169.7
[M+Na]+ 339.177818 176.8
[M-H]- 315.181324 179.8
[M+NH4]+ 334.222423 187.9
[M+K]+ 355.151758 180.5
[M+H-H2O]+ 299.185860 170.3
[M+HCOO]- 361.186801 184.1
[M+CH3COO]- 375.202451 206.2
[M+Na-2H]- 337.163266 172.3
[M]+ 316.18805142 177.4
[M]- 316.18914858 177.4
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.