CID 86290075

3,6-anhydro-l-galactonate

Structural Information

Molecular Formula
C6H10O6
SMILES
C1[C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-2-1-12-5(3(2)8)4(9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1
InChIKey
ZDDQAAZBPZGPRB-SKNVOMKLSA-N
Compound name
(2S)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

178.04774 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.055016 134.3
[M+Na]+ 201.036958 140.2
[M-H]- 177.040464 133.3
[M+NH4]+ 196.081563 151.8
[M+K]+ 217.010898 140.4
[M+H-H2O]+ 161.045000 130.2
[M+HCOO]- 223.045941 150.0
[M+CH3COO]- 237.061591 169.3
[M+Na-2H]- 199.022406 135.4
[M]+ 178.04719142 131.5
[M]- 178.04828858 131.5
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

patents stripe