CID 445801

4-deoxylactose

Structural Information

Molecular Formula
C12H22O10
SMILES
C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO
InChI
InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,11+,12-/m0/s1
InChIKey
DSYGIMVFFQCOQZ-KYYLAPRMSA-N
Compound name
(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1213 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.128576 171.8
[M+Na]+ 349.110518 175.0
[M-H]- 325.114024 170.2
[M+NH4]+ 344.155123 178.4
[M+K]+ 365.084458 175.5
[M+H-H2O]+ 309.118560 165.4
[M+HCOO]- 371.119501 177.2
[M+CH3COO]- 385.135151 196.1
[M+Na-2H]- 347.095966 169.9
[M]+ 326.12075142 168.1
[M]- 326.12184858 168.1
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

No patent data available for this compound.