CID 984

Hexadecanal

Structural Information

Molecular Formula
C16H32O
SMILES
CCCCCCCCCCCCCCCC=O
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChIKey
NIOYUNMRJMEDGI-UHFFFAOYSA-N
Compound name
hexadecanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

692
References

61150
Patents

240.24532 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 164.6
[M+Na]+ 263.23454 173.7
[M+NH4]+ 258.27914 171.5
[M+K]+ 279.20848 164.8
[M-H]- 239.23804 164.1
[M+Na-2H]- 261.21999 166.6
[M]+ 240.24477 165.5
[M]- 240.24587 165.5
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