CID 176472477

7,8-dihydroxy-8-methyl-4-oxononanoic acid

Structural Information

Molecular Formula
C10H18O5
SMILES
CC(C)(C(CCC(=O)CCC(=O)O)O)O
InChI
InChI=1S/C10H18O5/c1-10(2,15)8(12)5-3-7(11)4-6-9(13)14/h8,12,15H,3-6H2,1-2H3,(H,13,14)
InChIKey
DHQAZDZTXADMEN-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-8-methyl-4-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11542 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.122696 150.0
[M+Na]+ 241.104638 154.4
[M-H]- 217.108144 145.7
[M+NH4]+ 236.149243 166.1
[M+K]+ 257.078578 153.6
[M+H-H2O]+ 201.112680 145.7
[M+HCOO]- 263.113621 165.0
[M+CH3COO]- 277.129271 182.8
[M+Na-2H]- 239.090086 150.6
[M]+ 218.11487142 150.5
[M]- 218.11596858 150.5
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.