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
6
Annotation Hits

40
References

87084
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 162.6
[M+Na]+ 247.23962 166.0
[M-H]- 223.24312 161.1
[M+NH4]+ 242.28422 181.2
[M+K]+ 263.21356 162.7
[M+H-H2O]+ 207.24766 156.7
[M+HCOO]- 269.24860 183.3
[M+CH3COO]- 283.26425 196.9
[M+Na-2H]- 245.22507 164.5
[M]+ 224.24985 167.1
[M]- 224.25095 167.1
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