Pentadecanoic acid (C15H30O2)

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

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]+	243.231856	165.9
[M+Na]+	265.213798	169.0
[M-H]-	241.217304	163.1
[M+NH4]+	260.258403	182.8
[M+K]+	281.187738	166.2
[M+H-H2O]+	225.221840	159.9
[M+HCOO]-	287.222781	184.9
[M+CH3COO]-	301.238431	195.5
[M+Na-2H]-	263.199246	166.3
[M]+	242.22403142	170.2
[M]-	242.22512858	170.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

243.231856

165.9

[M+Na]+

265.213798

169.0

[M-H]-

241.217304

163.1

[M+NH4]+

260.258403

182.8

[M+K]+

281.187738

166.2

[M+H-H2O]+

225.221840

159.9

[M+HCOO]-

287.222781

184.9

[M+CH3COO]-

301.238431

195.5

[M+Na-2H]-

263.199246

166.3

[M]+

242.22403142

170.2

[M]-

242.22512858

170.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pentadecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe