CID 193113

9,10-dihydroxypalmitic acid

Structural Information

Molecular Formula
C16H32O4
SMILES
CCCCCCC(C(CCCCCCCC(=O)O)O)O
InChI
InChI=1S/C16H32O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
InChIKey
MHWBJDVXYSGJET-UHFFFAOYSA-N
Compound name
9,10-dihydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

288.23007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 177.7
[M+Na]+ 311.21929 178.9
[M-H]- 287.22279 171.9
[M+NH4]+ 306.26389 191.0
[M+K]+ 327.19323 176.2
[M+H-H2O]+ 271.22733 171.6
[M+HCOO]- 333.22827 191.8
[M+CH3COO]- 347.24392 199.0
[M+Na-2H]- 309.20474 174.1
[M]+ 288.22952 180.1
[M]- 288.23062 180.1
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