CID 5369078

2-pentene, 3-ethyl-4,4-dimethyl-

Structural Information

Molecular Formula

C₉H₁₈

SMILES

CC/C(=C\C)/C(C)(C)C

InChI

InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+

InChIKey

MNQIWYOURGVWDV-SOFGYWHQSA-N

Compound name

(E)-3-ethyl-4,4-dimethylpent-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.140854 Da
Monoisotopic Mass: 4.0
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]+	127.14813	130.2
[M+Na]+	149.13007	137.1
[M-H]-	125.13358	130.7
[M+NH4]+	144.17468	153.1
[M+K]+	165.10401	136.5
[M+H-H2O]+	109.13811	126.7
[M+HCOO]-	171.13906	150.9
[M+CH3COO]-	185.15470	175.3
[M+Na-2H]-	147.11552	135.4
[M]+	126.14031	130.8
[M]-	126.14140	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.