CID 5370208

2-methyl-oct-2-enedial

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C/C(=C\CCCCC=O)/C=O

InChI

InChI=1S/C9H14O2/c1-9(8-11)6-4-2-3-5-7-10/h6-8H,2-5H2,1H3/b9-6+

InChIKey

IJKVSODAGYUPNR-RMKNXTFCSA-N

Compound name

(E)-2-methyloct-2-enedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 1.2
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]+	155.106656	134.3
[M+Na]+	177.088598	141.1
[M-H]-	153.092104	134.3
[M+NH4]+	172.133203	155.5
[M+K]+	193.062538	139.7
[M+H-H2O]+	137.096640	129.6
[M+HCOO]-	199.097581	157.3
[M+CH3COO]-	213.113231	177.6
[M+Na-2H]-	175.074046	138.7
[M]+	154.09883142	136.9
[M]-	154.09992858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.