CID 93071

5-methyldecane

Structural Information

Molecular Formula

C₁₁H₂₄

SMILES

CCCCCC(C)CCCC

InChI

InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3

InChIKey

QUYFPNWYGLFQQU-UHFFFAOYSA-N

Compound name

5-methyldecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2334
Patents: 156.1878 Da
Monoisotopic Mass: 5.9
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]+	157.195076	142.1
[M+Na]+	179.177018	147.1
[M-H]-	155.180524	141.7
[M+NH4]+	174.221623	163.5
[M+K]+	195.150958	146.1
[M+H-H2O]+	139.185060	137.2
[M+HCOO]-	201.186001	163.3
[M+CH3COO]-	215.201651	183.4
[M+Na-2H]-	177.162466	145.4
[M]+	156.18725142	144.7
[M]-	156.18834858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe