CID 125414

Glc-man-hepp

Structural Information

Molecular Formula
C7H14O7
SMILES
C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O
InChI
InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1
InChIKey
BGWQRWREUZVRGI-QQABCQGCSA-N
Compound name
(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

37
Patents

210.07396 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08124 143.1
[M+Na]+ 233.06318 148.5
[M-H]- 209.06668 139.4
[M+NH4]+ 228.10778 156.6
[M+K]+ 249.03712 147.8
[M+H-H2O]+ 193.07122 138.5
[M+HCOO]- 255.07216 154.1
[M+CH3COO]- 269.08781 173.6
[M+Na-2H]- 231.04863 143.6
[M]+ 210.07341 138.7
[M]- 210.07451 138.7
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