CID 102367

3063-04-5

Structural Information

Molecular Formula
C7H12O7
SMILES
C([C@H]([C@@H]1[C@@H]([C@H]([C@H](C(=O)O1)O)O)O)O)O
InChI
InChI=1S/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
SUNCWTXGGFSVJR-QZABAPFNSA-N
Compound name
(3R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.0583 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06558 141.3
[M+Na]+ 231.04752 148.2
[M+NH4]+ 226.09212 145.2
[M+K]+ 247.02146 148.4
[M-H]- 207.05102 138.9
[M+Na-2H]- 229.03297 139.7
[M]+ 208.05775 140.9
[M]- 208.05885 140.9
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

No patent data available for this compound.