CID 441449

10,16-dihydroxyhexadecanoic acid

Structural Information

Molecular Formula
C16H32O4
SMILES
C(CCCCC(=O)O)CCCC(CCCCCCO)O
InChI
InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
InChIKey
VJZBXAQGWLMYMS-UHFFFAOYSA-N
Compound name
10,16-dihydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

234
Patents

288.23007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 177.1
[M+Na]+ 311.21929 178.5
[M-H]- 287.22279 171.2
[M+NH4]+ 306.26389 190.5
[M+K]+ 327.19323 175.3
[M+H-H2O]+ 271.22733 170.9
[M+HCOO]- 333.22827 192.2
[M+CH3COO]- 347.24392 198.1
[M+Na-2H]- 309.20474 174.8
[M]+ 288.22952 180.2
[M]- 288.23062 180.2
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