CID 5282932

11,12-dihydroxy arachidic acid

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCC(C(CCCCCCCCCC(=O)O)O)O
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)
InChIKey
DQAUXZPAFJGMFY-UHFFFAOYSA-N
Compound name
11,12-dihydroxyicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

344.29266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 195.4
[M+Na]+ 367.28188 194.9
[M-H]- 343.28538 188.9
[M+NH4]+ 362.32648 206.4
[M+K]+ 383.25582 191.3
[M+H-H2O]+ 327.28992 188.6
[M+HCOO]- 389.29086 208.2
[M+CH3COO]- 403.30651 210.8
[M+Na-2H]- 365.26733 189.7
[M]+ 344.29211 199.3
[M]- 344.29321 199.3
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