CID 558952

2,4-dimethylicosane

Structural Information

Molecular Formula

C₂₂H₄₆

SMILES

CCCCCCCCCCCCCCCCC(C)CC(C)C

InChI

InChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3

InChIKey

PPSYHXHRYMEFQY-UHFFFAOYSA-N

Compound name

2,4-dimethylicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 310.35995 Da
Monoisotopic Mass: 11.6
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]+	311.367226	193.1
[M+Na]+	333.349168	193.3
[M-H]-	309.352674	190.5
[M+NH4]+	328.393773	208.1
[M+K]+	349.323108	189.7
[M+H-H2O]+	293.357210	186.0
[M+HCOO]-	355.358151	209.5
[M+CH3COO]-	369.373801	217.1
[M+Na-2H]-	331.334616	189.0
[M]+	310.35940142	199.1
[M]-	310.36049858	199.1

Literature stripe

literature stripe

Patent stripe

patents stripe