CID 22833456

Schembl2876403

Structural Information

Molecular Formula

C₁₆H₃₀

SMILES

CCCCCC/C=C/CC/C=C/CCCC

InChI

InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h9,11,14,16H,3-8,10,12-13,15H2,1-2H3/b11-9+,16-14+

InChIKey

RMTVKKKRDAWJCP-RHYUXORRSA-N

Compound name

(5E,9E)-hexadeca-5,9-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 222.23476 Da
Monoisotopic Mass: 7.0
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]+	223.242036	161.3
[M+Na]+	245.223978	165.2
[M-H]-	221.227484	160.0
[M+NH4]+	240.268583	180.1
[M+K]+	261.197918	161.3
[M+H-H2O]+	205.232020	155.5
[M+HCOO]-	267.232961	182.3
[M+CH3COO]-	281.248611	194.6
[M+Na-2H]-	243.209426	163.2
[M]+	222.23421142	164.9
[M]-	222.23530858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe