CID 8175

Decanal

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCCCCCC=O

InChI

InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

InChIKey

KSMVZQYAVGTKIV-UHFFFAOYSA-N

Compound name

decanal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 307
References: 61888
Patents: 156.15141 Da
Monoisotopic Mass: 3.8
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]+	157.158686	138.5
[M+Na]+	179.140628	144.4
[M-H]-	155.144134	138.1
[M+NH4]+	174.185233	159.8
[M+K]+	195.114568	143.1
[M+H-H2O]+	139.148670	133.5
[M+HCOO]-	201.149611	161.5
[M+CH3COO]-	215.165261	180.5
[M+Na-2H]-	177.126076	143.6
[M]+	156.15086142	142.1
[M]-	156.15195858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe