CID 236484

9,10-dihydroxyoctadecanedioic acid

Structural Information

Molecular Formula
C18H34O6
SMILES
C(CCCC(C(CCCCCCCC(=O)O)O)O)CCCC(=O)O
InChI
InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
InChIKey
NQBSWIGTUPEPIH-UHFFFAOYSA-N
Compound name
9,10-dihydroxyoctadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

346.23553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24281 190.0
[M+Na]+ 369.22475 189.7
[M-H]- 345.22825 182.4
[M+NH4]+ 364.26935 189.2
[M+K]+ 385.19869 186.9
[M+H-H2O]+ 329.23279 183.4
[M+HCOO]- 391.23373 192.6
[M+CH3COO]- 405.24938 206.8
[M+Na-2H]- 367.21020 183.8
[M]+ 346.23498 192.7
[M]- 346.23608 192.7
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