CID 95144

.alpha.-d-glucopyranoside, methyl, tetraacetate

Structural Information

Molecular Formula
C15H22O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1
InChIKey
UYWUMFGDPBMNCA-QMIVOQANSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

362.1213 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12858 172.6
[M+Na]+ 385.11052 177.6
[M-H]- 361.11402 176.4
[M+NH4]+ 380.15512 183.9
[M+K]+ 401.08446 181.7
[M+H-H2O]+ 345.11856 166.3
[M+HCOO]- 407.11950 189.0
[M+CH3COO]- 421.13515 214.9
[M+Na-2H]- 383.09597 170.3
[M]+ 362.12075 181.9
[M]- 362.12185 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe