CID 73242166

Tetrapedic acid b

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCCC[C@H](CCC[C@H](CC(=O)O)O)O
InChI
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(23)17-15-18-21(24)19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKey
FCJIICMIGKVTBE-NHCUHLMSSA-N
Compound name
(3R,7R)-3,7-dihydroxydocosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.32397 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 204.2
[M+Na]+ 395.31319 202.8
[M-H]- 371.31669 197.2
[M+NH4]+ 390.35779 201.6
[M+K]+ 411.28713 198.7
[M+H-H2O]+ 355.32123 197.0
[M+HCOO]- 417.32217 207.8
[M+CH3COO]- 431.33782 216.7
[M+Na-2H]- 393.29864 197.5
[M]+ 372.32342 208.8
[M]- 372.32452 208.8
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

patents stripe