CID 107526

50-99-7

Structural Information

Molecular Formula
C6H12O6
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
InChIKey
GZCGUPFRVQAUEE-SLPGGIOYSA-N
Compound name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

213812
References

903129
Patents

180.06339 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07067 137.8
[M+Na]+ 203.05261 142.4
[M+NH4]+ 198.09721 141.0
[M+K]+ 219.02655 143.4
[M-H]- 179.05611 131.4
[M+Na-2H]- 201.03806 135.4
[M]+ 180.06284 135.7
[M]- 180.06394 135.7
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

patents stripe