CID 17697

Pentadecanal

Structural Information

Molecular Formula

C₁₅H₃₀O

SMILES

CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3

InChIKey

XGQJZNCFDLXSIJ-UHFFFAOYSA-N

Compound name

pentadecanal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 26
References: 6437
Patents: 226.22966 Da
Monoisotopic Mass: 6.5
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]+	227.236936	161.4
[M+Na]+	249.218878	165.2
[M-H]-	225.222384	160.1
[M+NH4]+	244.263483	179.9
[M+K]+	265.192818	162.6
[M+H-H2O]+	209.226920	155.4
[M+HCOO]-	271.227861	182.7
[M+CH3COO]-	285.243511	195.7
[M+Na-2H]-	247.204326	163.7
[M]+	226.22911142	166.9
[M]-	226.23020858	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe