CID 407182

Octonic acid

Structural Information

Molecular Formula
C8H16O9
SMILES
C(C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C8H16O9/c9-1-2(10)3(11)4(12)5(13)6(14)7(15)8(16)17/h2-7,9-15H,1H2,(H,16,17)
InChIKey
VMAMIMWJAKTQSM-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8-heptahydroxyoctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

256.07944 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08672 154.0
[M+Na]+ 279.06866 154.7
[M-H]- 255.07216 142.7
[M+NH4]+ 274.11326 163.9
[M+K]+ 295.04260 155.7
[M+H-H2O]+ 239.07670 149.0
[M+HCOO]- 301.07764 160.3
[M+CH3COO]- 315.09329 180.7
[M+Na-2H]- 277.05411 147.3
[M]+ 256.07889 148.7
[M]- 256.07999 148.7
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.