CID 29251

2-hexadecanone

Structural Information

Molecular Formula
C16H32O
SMILES
CCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
InChIKey
XCXKZBWAKKPFCJ-UHFFFAOYSA-N
Compound name
hexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

2370
Patents

240.24532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 166.8
[M+Na]+ 263.23454 170.0
[M-H]- 239.23804 165.3
[M+NH4]+ 258.27914 184.6
[M+K]+ 279.20848 167.4
[M+H-H2O]+ 223.24258 160.6
[M+HCOO]- 285.24352 186.7
[M+CH3COO]- 299.25917 199.4
[M+Na-2H]- 261.21999 167.3
[M]+ 240.24477 172.0
[M]- 240.24587 172.0
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