CID 20981462

71612-10-7

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCCCCC=CCC=C

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3,7,9H,1,4-6,8,10H2,2H3

InChIKey

PIJZNCJOLUODIA-UHFFFAOYSA-N

Compound name

deca-1,4-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 666
Patents: 138.14085 Da
Monoisotopic Mass: 4.4
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]+	139.148126	133.7
[M+Na]+	161.130068	140.0
[M-H]-	137.133574	133.4
[M+NH4]+	156.174673	155.7
[M+K]+	177.104008	137.7
[M+H-H2O]+	121.138110	129.1
[M+HCOO]-	183.139051	156.6
[M+CH3COO]-	197.154701	177.1
[M+Na-2H]-	159.115516	138.9
[M]+	138.14030142	135.1
[M]-	138.14139858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe