CID 550798

Undecane, 3-methylene-

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCCCC(=C)CC

InChI

InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h3-11H2,1-2H3

InChIKey

KOGYHNNTUZDGRV-UHFFFAOYSA-N

Compound name

3-methylideneundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 168.1878 Da
Monoisotopic Mass: 6.2
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]+	169.19508	145.0
[M+Na]+	191.17702	149.9
[M-H]-	167.18052	144.4
[M+NH4]+	186.22162	165.8
[M+K]+	207.15096	148.0
[M+H-H2O]+	151.18506	139.9
[M+HCOO]-	213.18600	166.1
[M+CH3COO]-	227.20165	185.5
[M+Na-2H]-	189.16247	147.8
[M]+	168.18725	147.3
[M]-	168.18835	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe