CID 5282903

2-hydroxypentadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

651
Patents

258.21948 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.226756 169.8
[M+Na]+ 281.208698 172.2
[M-H]- 257.212204 165.6
[M+NH4]+ 276.253303 185.2
[M+K]+ 297.182638 169.5
[M+H-H2O]+ 241.216740 163.8
[M+HCOO]- 303.217681 186.5
[M+CH3COO]- 317.233331 195.7
[M+Na-2H]- 279.194146 168.4
[M]+ 258.21893142 173.0
[M]- 258.22002858 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

literature stripe

Patent stripe

patents stripe