CID 536351

Schembl18837271

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CC=CCCCCCCCCCCCCC=O

InChI

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,16H,4-15H2,1H3

InChIKey

XVOLIFYNNVCOPB-UHFFFAOYSA-N

Compound name

hexadec-14-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.22966 Da
Monoisotopic Mass: 6.2
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]+	239.236936	164.4
[M+Na]+	261.218878	168.2
[M-H]-	237.222384	163.0
[M+NH4]+	256.263483	182.4
[M+K]+	277.192818	164.7
[M+H-H2O]+	221.226920	158.3
[M+HCOO]-	283.227861	185.6
[M+CH3COO]-	297.243511	197.1
[M+Na-2H]-	259.204326	166.3
[M]+	238.22911142	169.6
[M]-	238.23020858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe