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]+ 179.05502 134.3
[M+Na]+ 201.03696 140.2
[M-H]- 177.04046 133.3
[M+NH4]+ 196.08156 151.8
[M+K]+ 217.01090 140.4
[M+H-H2O]+ 161.04500 130.2
[M+HCOO]- 223.04594 150.0
[M+CH3COO]- 237.06159 169.3
[M+Na-2H]- 199.02241 135.4
[M]+ 178.04719 131.5
[M]- 178.04829 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