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
7
Annotation Hits

692
References

71983
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 165.9
[M+Na]+ 263.23454 169.3
[M-H]- 239.23804 164.4
[M+NH4]+ 258.27914 183.8
[M+K]+ 279.20848 166.4
[M+H-H2O]+ 223.24258 159.7
[M+HCOO]- 285.24352 186.9
[M+CH3COO]- 299.25917 198.7
[M+Na-2H]- 261.21999 167.7
[M]+ 240.24477 171.8
[M]- 240.24587 171.8
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.