CID 10953859

1,4-anhydro-d-glucitol

Structural Information

Molecular Formula
C6H12O5
SMILES
C1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
JNYAEWCLZODPBN-JGWLITMVSA-N
Compound name
(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

52
References

232678
Patents

164.06847 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07575 132.6
[M+Na]+ 187.05769 139.4
[M+NH4]+ 182.10229 138.2
[M+K]+ 203.03163 140.1
[M-H]- 163.06119 131.2
[M+Na-2H]- 185.04314 132.3
[M]+ 164.06792 132.5
[M]- 164.06902 132.5
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