CID 441483

Beta-d-sedoheptulopyranose

Structural Information

Molecular Formula
C7H14O7
SMILES
C([C@@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)O
InChI
InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1
InChIKey
HAIWUXASLYEWLM-BNWJMWRWSA-N
Compound name
(2R,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

6838
Patents

210.07396 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08124 142.2
[M+Na]+ 233.06318 148.8
[M-H]- 209.06668 138.8
[M+NH4]+ 228.10778 157.9
[M+K]+ 249.03712 147.9
[M+H-H2O]+ 193.07122 138.8
[M+HCOO]- 255.07216 154.2
[M+CH3COO]- 269.08781 172.1
[M+Na-2H]- 231.04863 145.6
[M]+ 210.07341 139.0
[M]- 210.07451 139.0
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