CID 56927872

3,16-dihydroxypalmitate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

288.23007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 174.9
[M+Na]+ 311.21929 180.2
[M+NH4]+ 306.26389 178.6
[M+K]+ 327.19323 175.4
[M-H]- 287.22279 170.7
[M+Na-2H]- 309.20474 172.8
[M]+ 288.22952 173.8
[M]- 288.23062 173.8
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