CID 12395

1-hexadecene

Structural Information

Molecular Formula
C16H32
SMILES
CCCCCCCCCCCCCCC=C
InChI
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
InChIKey
GQEZCXVZFLOKMC-UHFFFAOYSA-N
Compound name
hexadec-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

40
References

74591
Patents

224.2504 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.25768 161.5
[M+Na]+ 247.23962 171.2
[M+NH4]+ 242.28422 169.1
[M+K]+ 263.21356 161.7
[M-H]- 223.24312 161.7
[M+Na-2H]- 245.22507 164.1
[M]+ 224.24985 162.8
[M]- 224.25095 162.8
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