CID 65041

D-(+)-glucuronic acid

Structural Information

Molecular Formula
C6H10O7
SMILES
C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKey
IAJILQKETJEXLJ-QTBDOELSSA-N
Compound name
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

9369
References

139167
Patents

194.04265 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.049926 138.6
[M+Na]+ 217.031868 142.6
[M-H]- 193.035374 131.8
[M+NH4]+ 212.076473 153.6
[M+K]+ 233.005808 142.9
[M+H-H2O]+ 177.039910 134.0
[M+HCOO]- 239.040851 151.7
[M+CH3COO]- 253.056501 172.6
[M+Na-2H]- 215.017316 136.7
[M]+ 194.04210142 135.8
[M]- 194.04319858 135.8
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.