CID 5312758

4,12-dihydroxy-pentadecanoic acid

Structural Information

Molecular Formula
C15H30O4
SMILES
CCCC(CCCCCCCC(CCC(=O)O)O)O
InChI
InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
InChIKey
QGZOSDDYSABQFX-UHFFFAOYSA-N
Compound name
4,12-dihydroxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21442 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22170 173.2
[M+Na]+ 297.20364 174.9
[M-H]- 273.20714 167.6
[M+NH4]+ 292.24824 187.1
[M+K]+ 313.17758 172.4
[M+H-H2O]+ 257.21168 167.3
[M+HCOO]- 319.21262 187.6
[M+CH3COO]- 333.22827 196.1
[M+Na-2H]- 295.18909 170.1
[M]+ 274.21387 175.2
[M]- 274.21497 175.2
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.