CID 5312757

4-hydroxy-pentadecanoic acid

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCCCCCCCCC(CCC(=O)O)O
InChI
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKey
ZXRHHICCGISHQG-UHFFFAOYSA-N
Compound name
4-hydroxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

258.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 169.8
[M+Na]+ 281.20870 172.2
[M-H]- 257.21220 165.6
[M+NH4]+ 276.25330 185.2
[M+K]+ 297.18264 169.5
[M+H-H2O]+ 241.21674 163.8
[M+HCOO]- 303.21768 186.5
[M+CH3COO]- 317.23333 195.7
[M+Na-2H]- 279.19415 168.4
[M]+ 258.21893 173.0
[M]- 258.22003 173.0
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