CID 544189

4,4-dimethyloct-5-enal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-4-5-7-10(2,3)8-6-9-11/h5,7,9H,4,6,8H2,1-3H3

InChIKey

WIUZQWYBCQCAMV-UHFFFAOYSA-N

Compound name

4,4-dimethyloct-5-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.143046	136.8
[M+Na]+	177.124988	143.6
[M-H]-	153.128494	136.9
[M+NH4]+	172.169593	158.4
[M+K]+	193.098928	142.1
[M+H-H2O]+	137.133030	132.7
[M+HCOO]-	199.133971	158.5
[M+CH3COO]-	213.149621	179.2
[M+Na-2H]-	175.110436	142.7
[M]+	154.13522142	139.3
[M]-	154.13631858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe