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

149161
Patents

226.26605 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 164.4
[M+Na]+ 249.25527 167.5
[M-H]- 225.25877 162.8
[M+NH4]+ 244.29987 183.0
[M+K]+ 265.22921 164.7
[M+H-H2O]+ 209.26331 158.3
[M+HCOO]- 271.26425 184.9
[M+CH3COO]- 285.27990 197.8
[M+Na-2H]- 247.24072 166.2
[M]+ 226.26550 169.5
[M]- 226.26660 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.