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]+ 223.081236 145.6
[M+Na]+ 245.063178 150.1
[M-H]- 221.066684 142.8
[M+NH4]+ 240.107783 158.9
[M+K]+ 261.037118 150.0
[M+H-H2O]+ 205.071220 140.6
[M+HCOO]- 267.072161 157.1
[M+CH3COO]- 281.087811 177.5
[M+Na-2H]- 243.048626 145.6
[M]+ 222.07341142 141.6
[M]- 222.07450858 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.