CID 20059541

2-ethyl-2-methylpentanal

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCC(C)(CC)C=O

InChI

InChI=1S/C8H16O/c1-4-6-8(3,5-2)7-9/h7H,4-6H2,1-3H3

InChIKey

XWODDVVXQUHRJR-UHFFFAOYSA-N

Compound name

2-ethyl-2-methylpentanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 128.12012 Da
Monoisotopic Mass: 2.4
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]+	129.12740	129.0
[M+Na]+	151.10934	136.3
[M-H]-	127.11284	129.4
[M+NH4]+	146.15394	151.6
[M+K]+	167.08328	135.9
[M+H-H2O]+	111.11738	125.2
[M+HCOO]-	173.11832	151.1
[M+CH3COO]-	187.13397	174.7
[M+Na-2H]-	149.09479	135.9
[M]+	128.11957	131.4
[M]-	128.12067	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe