CID 5463085

2-pentenal, 2-ethyl-4-methyl-

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

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

InChI

InChI=1S/C8H14O/c1-4-8(6-9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+

InChIKey

JBGRAQBQMATPJJ-VMPITWQZSA-N

Compound name

(E)-2-ethyl-4-methylpent-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 126.10446 Da
Monoisotopic Mass: 2.1
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]+	127.111736	128.3
[M+Na]+	149.093678	135.0
[M-H]-	125.097184	128.6
[M+NH4]+	144.138283	150.7
[M+K]+	165.067618	134.5
[M+H-H2O]+	109.101720	124.0
[M+HCOO]-	171.102661	150.2
[M+CH3COO]-	185.118311	174.4
[M+Na-2H]-	147.079126	132.0
[M]+	126.10391142	129.0
[M]-	126.10500858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe