CID 11006

Hexadecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCCCCCCCCCCC
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
DCAYPVUWAIABOU-UHFFFAOYSA-N
Compound name
hexadecane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1507
References

149990
Patents

226.26605 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 164.4
[M+Na]+ 249.255268 167.5
[M-H]- 225.258774 162.8
[M+NH4]+ 244.299873 183.0
[M+K]+ 265.229208 164.7
[M+H-H2O]+ 209.263310 158.3
[M+HCOO]- 271.264251 184.9
[M+CH3COO]- 285.279901 197.8
[M+Na-2H]- 247.240716 166.2
[M]+ 226.26550142 169.5
[M]- 226.26659858 169.5
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