CID 14257

Undecane

Structural Information

Molecular Formula

C₁₁H₂₄

SMILES

CCCCCCCCCCC

InChI

InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

InChIKey

RSJKGSCJYJTIGS-UHFFFAOYSA-N

Compound name

undecane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 237
References: 100798
Patents: 156.1878 Da
Monoisotopic Mass: 5.6
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	141.5
[M+Na]+	179.177018	146.7
[M-H]-	155.180524	141.0
[M+NH4]+	174.221623	162.9
[M+K]+	195.150958	145.4
[M+H-H2O]+	139.185060	136.5
[M+HCOO]-	201.186001	163.7
[M+CH3COO]-	215.201651	182.7
[M+Na-2H]-	177.162466	146.1
[M]+	156.18725142	144.8
[M]-	156.18834858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe