CID 13849

Pentadecanoic acid

Structural Information

Molecular Formula

C₁₅H₃₀O₂

SMILES

CCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChIKey

WQEPLUUGTLDZJY-UHFFFAOYSA-N

Compound name

pentadecanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 173
References: 57441
Patents: 242.22458 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.23186	163.9
[M+Na]+	265.21380	171.9
[M+NH4]+	260.25840	169.9
[M+K]+	281.18774	164.8
[M-H]-	241.21730	162.2
[M+Na-2H]-	263.19925	164.7
[M]+	242.22403	164.2
[M]-	242.22513	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe