CID 5282925

Ustilic acid a

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

288.23007 Da
Monoisotopic Mass

4.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.