CID 5127354

1,7-hexadecadiene

Structural Information

Molecular Formula
C16H30
SMILES
CCCCCCCCC=CCCCCC=C
InChI
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,13,15H,1,4-12,14,16H2,2H3
InChIKey
ZKGUVFWOQHIDON-UHFFFAOYSA-N
Compound name
hexadeca-1,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

87
Patents

222.23476 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.242036 161.1
[M+Na]+ 245.223978 164.9
[M-H]- 221.227484 159.7
[M+NH4]+ 240.268583 179.8
[M+K]+ 261.197918 160.9
[M+H-H2O]+ 205.232020 155.3
[M+HCOO]- 267.232961 182.0
[M+CH3COO]- 281.248611 195.3
[M+Na-2H]- 243.209426 163.0
[M]+ 222.23421142 164.8
[M]- 222.23530858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe