CID 108662

6-octenal, 7-methyl-3-methylene-

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=CCCC(=C)CC=O)C

InChI

InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3

InChIKey

ODULZPPCXSTHDT-UHFFFAOYSA-N

Compound name

7-methyl-3-methylideneoct-6-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 152.12012 Da
Monoisotopic Mass: 3.0
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]+	153.12740	135.9
[M+Na]+	175.10934	142.1
[M-H]-	151.11284	135.9
[M+NH4]+	170.15394	157.2
[M+K]+	191.08328	140.4
[M+H-H2O]+	135.11738	131.4
[M+HCOO]-	197.11832	157.3
[M+CH3COO]-	211.13397	179.6
[M+Na-2H]-	173.09479	138.6
[M]+	152.11957	136.7
[M]-	152.12067	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe