CID 5282924

2,15-dihydroxypentadecanoic acid

Structural Information

Molecular Formula
C15H30O4
SMILES
C(CCCCCCC(C(=O)O)O)CCCCCCO
InChI
InChI=1S/C15H30O4/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14(17)15(18)19/h14,16-17H,1-13H2,(H,18,19)
InChIKey
BYSNBUIZJVDCKG-UHFFFAOYSA-N
Compound name
2,15-dihydroxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

274.21442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22170 172.7
[M+Na]+ 297.20364 174.5
[M-H]- 273.20714 167.0
[M+NH4]+ 292.24824 186.6
[M+K]+ 313.17758 171.5
[M+H-H2O]+ 257.21168 166.6
[M+HCOO]- 319.21262 188.1
[M+CH3COO]- 333.22827 195.2
[M+Na-2H]- 295.18909 170.8
[M]+ 274.21387 175.3
[M]- 274.21497 175.3
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