CID 445569

Alpha-kdo

Structural Information

Molecular Formula
C8H14O8
SMILES
C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O
InChI
InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1
InChIKey
NNLZBVFSCVTSLA-HXUQBWEZSA-N
Compound name
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

256
Patents

238.06886 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07614 148.0
[M+Na]+ 261.05808 152.8
[M-H]- 237.06158 144.0
[M+NH4]+ 256.10268 161.8
[M+K]+ 277.03202 152.9
[M+H-H2O]+ 221.06612 144.3
[M+HCOO]- 283.06706 158.1
[M+CH3COO]- 297.08271 177.6
[M+Na-2H]- 259.04353 149.2
[M]+ 238.06831 144.2
[M]- 238.06941 144.2
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