CID 130025202

4-methyl-2-methylidenehexanal

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CCC(C)CC(=C)C=O

InChI

InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h6-7H,3-5H2,1-2H3

InChIKey

HSZAOWVRIDREBV-UHFFFAOYSA-N

Compound name

4-methyl-2-methylidenehexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 Da
Monoisotopic Mass: 2.5
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]+	127.11174	128.1
[M+Na]+	149.09368	134.7
[M-H]-	125.09718	128.4
[M+NH4]+	144.13828	150.4
[M+K]+	165.06762	134.2
[M+H-H2O]+	109.10172	123.8
[M+HCOO]-	171.10266	150.0
[M+CH3COO]-	185.11831	175.1
[M+Na-2H]-	147.07913	131.8
[M]+	126.10391	128.9
[M]-	126.10501	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.