CID 145944435

L-glycero-l-galacto-octuluronate

Structural Information

Molecular Formula
C8H14O9
SMILES
C(C(=O)[C@H]([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C8H14O9/c9-1-2(10)3(11)4(12)5(13)6(14)7(15)8(16)17/h3-7,9,11-15H,1H2,(H,16,17)/t3-,4+,5+,6-,7-/m1/s1
InChIKey
AKBZKMKPMRTZOC-VOQCIKJUSA-N
Compound name
(2R,3R,4S,5R,6S)-2,3,4,5,6,8-hexahydroxy-7-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06378 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07106 152.0
[M+Na]+ 277.05300 153.5
[M-H]- 253.05650 142.1
[M+NH4]+ 272.09760 162.7
[M+K]+ 293.02694 154.5
[M+H-H2O]+ 237.06104 147.0
[M+HCOO]- 299.06198 160.0
[M+CH3COO]- 313.07763 181.7
[M+Na-2H]- 275.03845 145.9
[M]+ 254.06323 147.8
[M]- 254.06433 147.8
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.