CID 58271398

12,18-dihydroxyoctadecanoate

Structural Information

Molecular Formula
C18H36O4
SMILES
C(CCCCCC(=O)O)CCCCC(CCCCCCO)O
InChI
InChI=1S/C18H36O4/c19-16-12-8-7-10-14-17(20)13-9-5-3-1-2-4-6-11-15-18(21)22/h17,19-20H,1-16H2,(H,21,22)
InChIKey
ILQLNMYYQUJEBU-UHFFFAOYSA-N
Compound name
12,18-dihydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.26135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 185.9
[M+Na]+ 339.250568 186.5
[M-H]- 315.254074 179.7
[M+NH4]+ 334.295173 198.1
[M+K]+ 355.224508 182.8
[M+H-H2O]+ 299.258610 179.3
[M+HCOO]- 361.259551 200.3
[M+CH3COO]- 375.275201 204.1
[M+Na-2H]- 337.236016 182.5
[M]+ 316.26080142 189.7
[M]- 316.26189858 189.7
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