CID 14018

3-ethyl-3-methylpentane

Structural Information

Molecular Formula

C₈H₁₈

SMILES

CCC(C)(CC)CC

InChI

InChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3

InChIKey

GIEZWIDCIFCQPS-UHFFFAOYSA-N

Compound name

3-ethyl-3-methylpentane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2730
Patents: 114.140854 Da
Monoisotopic Mass: 4.1
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]+	115.14813	127.1
[M+Na]+	137.13007	138.1
[M+NH4]+	132.17468	136.1
[M+K]+	153.10401	131.9
[M-H]-	113.13358	127.3
[M+Na-2H]-	135.11552	131.8
[M]+	114.14031	128.8
[M]-	114.14140	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe