CID 53839399

5-ethyl-5-methylnonadecane

Structural Information

Molecular Formula

C₂₂H₄₆

SMILES

CCCCCCCCCCCCCCC(C)(CC)CCCC

InChI

InChI=1S/C22H46/c1-5-8-10-11-12-13-14-15-16-17-18-19-21-22(4,7-3)20-9-6-2/h5-21H2,1-4H3

InChIKey

KBCKIQVVZADCBC-UHFFFAOYSA-N

Compound name

5-ethyl-5-methylnonadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 310.35995 Da
Monoisotopic Mass: 11.7
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	191.6
[M+Na]+	333.349168	192.7
[M-H]-	309.352674	189.2
[M+NH4]+	328.393773	207.0
[M+K]+	349.323108	188.7
[M+H-H2O]+	293.357210	185.0
[M+HCOO]-	355.358151	208.6
[M+CH3COO]-	369.373801	216.0
[M+Na-2H]-	331.334616	190.8
[M]+	310.35940142	198.6
[M]-	310.36049858	198.6

Literature stripe

literature stripe

Patent stripe

patents stripe