CID 219662

D-glycero-d-galacto-heptose

Structural Information

Molecular Formula
C7H14O7
SMILES
C(C(C(C(C(C(C=O)O)O)O)O)O)O
InChI
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2
InChIKey
YPZMPEPLWKRVLD-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7-hexahydroxyheptanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4086
Patents

210.07396 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08124 145.0
[M+Na]+ 233.06318 147.9
[M+NH4]+ 228.10778 146.9
[M+K]+ 249.03712 150.5
[M-H]- 209.06668 137.2
[M+Na-2H]- 231.04863 140.9
[M]+ 210.07341 142.1
[M]- 210.07451 142.1
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