CID 45479534

2beta-deoxy kdo

Structural Information

Molecular Formula
C8H14O7
SMILES
C1[C@H]([C@H](C(O[C@@H]1C(=O)O)[C@@H](CO)O)O)O
InChI
InChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4-,5+,6-,7?/m1/s1
InChIKey
ANWKOKWAJKGXFO-WLDMJGECSA-N
Compound name
(2S,4R,5R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07396 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08124 145.6
[M+Na]+ 245.06318 150.1
[M-H]- 221.06668 142.8
[M+NH4]+ 240.10778 158.9
[M+K]+ 261.03712 150.0
[M+H-H2O]+ 205.07122 140.6
[M+HCOO]- 267.07216 157.1
[M+CH3COO]- 281.08781 177.5
[M+Na-2H]- 243.04863 145.6
[M]+ 222.07341 141.6
[M]- 222.07451 141.6
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.