CID 61303

Pentadecan-2-one

Structural Information

Molecular Formula
C15H30O
SMILES
CCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
InChIKey
CJPNOLIZCWDHJK-UHFFFAOYSA-N
Compound name
pentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

1921
Patents

226.22966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 162.2
[M+Na]+ 249.218878 165.8
[M-H]- 225.222384 161.0
[M+NH4]+ 244.263483 180.6
[M+K]+ 265.192818 163.6
[M+H-H2O]+ 209.226920 156.3
[M+HCOO]- 271.227861 182.5
[M+CH3COO]- 285.243511 196.4
[M+Na-2H]- 247.204326 163.2
[M]+ 226.22911142 167.1
[M]- 226.23020858 167.1
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