CID 15600

Decane

Structural Information

Molecular Formula

C₁₀H₂₂

SMILES

CCCCCCCCCC

InChI

InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

DIOQZVSQGTUSAI-UHFFFAOYSA-N

Compound name

decane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1156
References: 67491
Patents: 142.17215 Da
Monoisotopic Mass: 5.0
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]+	143.17943	136.9
[M+Na]+	165.16137	142.5
[M-H]-	141.16487	136.5
[M+NH4]+	160.20597	158.9
[M+K]+	181.13531	141.4
[M+H-H2O]+	125.16941	132.1
[M+HCOO]-	187.17035	159.4
[M+CH3COO]-	201.18600	179.7
[M+Na-2H]-	163.14682	142.0
[M]+	142.17160	139.7
[M]-	142.17270	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe