CID 984

Hexadecanal

Structural Information

Molecular Formula

C₁₆H₃₂O

SMILES

CCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

InChIKey

NIOYUNMRJMEDGI-UHFFFAOYSA-N

Compound name

hexadecanal

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 692
References: 72022
Patents: 240.24532 Da
Monoisotopic Mass: 7.1
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]+	241.252596	165.9
[M+Na]+	263.234538	169.3
[M-H]-	239.238044	164.4
[M+NH4]+	258.279143	183.8
[M+K]+	279.208478	166.4
[M+H-H2O]+	223.242580	159.7
[M+HCOO]-	285.243521	186.9
[M+CH3COO]-	299.259171	198.7
[M+Na-2H]-	261.219986	167.7
[M]+	240.24477142	171.8
[M]-	240.24586858	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe