CID 12235236

9-hydroxy-10-oxooctadecanoic acid

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCCCCCC(=O)C(CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h17,20H,2-15H2,1H3,(H,21,22)
InChIKey
VDWGDORPPCKMFR-UHFFFAOYSA-N
Compound name
9-hydroxy-10-oxooctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2457 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.252976 184.6
[M+Na]+ 337.234918 185.7
[M-H]- 313.238424 179.9
[M+NH4]+ 332.279523 197.5
[M+K]+ 353.208858 182.8
[M+H-H2O]+ 297.242960 178.1
[M+HCOO]- 359.243901 199.8
[M+CH3COO]- 373.259551 206.6
[M+Na-2H]- 335.220366 180.6
[M]+ 314.24515142 189.0
[M]- 314.24624858 189.0
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

No patent data available for this compound.