CID 5282937

11,12,15-trihydroxy palmitic acid

Structural Information

Molecular Formula
C16H32O5
SMILES
CC(CCC(CC(CCCCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C16H32O5/c1-13(17)10-11-15(19)12-14(18)8-6-4-2-3-5-7-9-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)
InChIKey
SVZYWAXPIAVKCO-UHFFFAOYSA-N
Compound name
10,12,15-trihydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

304.22498 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.23226 180.7
[M+Na]+ 327.21420 181.1
[M-H]- 303.21770 173.5
[M+NH4]+ 322.25880 192.4
[M+K]+ 343.18814 178.8
[M+H-H2O]+ 287.22224 174.6
[M+HCOO]- 349.22318 192.4
[M+CH3COO]- 363.23883 199.7
[M+Na-2H]- 325.19965 175.3
[M]+ 304.22443 181.9
[M]- 304.22553 181.9
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