CID 11064099

Pentadecane, 5-methylene-

Structural Information

Molecular Formula

C₁₆H₃₂

SMILES

CCCCCCCCCCC(=C)CCCC

InChI

InChI=1S/C16H32/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h3-15H2,1-2H3

InChIKey

ZNKXDVLPLNHVGQ-UHFFFAOYSA-N

Compound name

5-methylidenepentadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 224.2504 Da
Monoisotopic Mass: 8.3
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]+	225.25768	163.4
[M+Na]+	247.23962	166.6
[M-H]-	223.24312	162.0
[M+NH4]+	242.28422	182.0
[M+K]+	263.21356	163.7
[M+H-H2O]+	207.24766	157.5
[M+HCOO]-	269.24860	183.1
[M+CH3COO]-	283.26425	197.6
[M+Na-2H]-	245.22507	164.0
[M]+	224.24985	167.2
[M]-	224.25095	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe