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

0
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 140.8
[M+Na]+ 231.04752 146.9
[M-H]- 207.05102 138.5
[M+NH4]+ 226.09212 155.0
[M+K]+ 247.02146 146.4
[M+H-H2O]+ 191.05556 136.1
[M+HCOO]- 253.05650 153.6
[M+CH3COO]- 267.07215 174.9
[M+Na-2H]- 229.03297 141.9
[M]+ 208.05775 137.5
[M]- 208.05885 137.5
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.