CID 544714

5-methyl-6-methylidenedecane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCC(C)C(=C)CCCC

InChI

InChI=1S/C12H24/c1-5-7-9-11(3)12(4)10-8-6-2/h12H,3,5-10H2,1-2,4H3

InChIKey

ZPVCSXMAYSEYLT-UHFFFAOYSA-N

Compound name

5-methyl-6-methylidenedecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 34
Patents: 168.1878 Da
Monoisotopic Mass: 6.0
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]+	169.19508	145.3
[M+Na]+	191.17702	149.9
[M-H]-	167.18052	144.8
[M+NH4]+	186.22162	166.1
[M+K]+	207.15096	148.5
[M+H-H2O]+	151.18506	140.3
[M+HCOO]-	213.18600	165.3
[M+CH3COO]-	227.20165	186.3
[M+Na-2H]-	189.16247	146.8
[M]+	168.18725	146.9
[M]-	168.18835	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe