CID 3017884

3-hydroxydecanedioic acid

Structural Information

Molecular Formula
C10H18O5
SMILES
C(CCCC(=O)O)CCC(CC(=O)O)O
InChI
InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKey
OQYZCCKCJQWHIE-UHFFFAOYSA-N
Compound name
3-hydroxydecanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

130
Patents

218.11542 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12270 150.8
[M+Na]+ 241.10464 156.5
[M+NH4]+ 236.14924 154.6
[M+K]+ 257.07858 154.5
[M-H]- 217.10814 145.8
[M+Na-2H]- 239.09009 149.3
[M]+ 218.11487 149.5
[M]- 218.11597 149.5
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