CID 2734735

D-galactal

Structural Information

Molecular Formula
C6H10O4
SMILES
C1=CO[C@@H]([C@@H]([C@@H]1O)O)CO
InChI
InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6-/m1/s1
InChIKey
YVECGMZCTULTIS-HSUXUTPPSA-N
Compound name
(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

78
References

1218
Patents

146.0579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 127.3
[M+Na]+ 169.04712 134.4
[M-H]- 145.05062 127.8
[M+NH4]+ 164.09172 145.6
[M+K]+ 185.02106 133.9
[M+H-H2O]+ 129.05516 122.7
[M+HCOO]- 191.05610 145.4
[M+CH3COO]- 205.07175 165.8
[M+Na-2H]- 167.03257 133.3
[M]+ 146.05735 124.9
[M]- 146.05845 124.9
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