CID 13162

8-pentadecanone

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1775
Patents

226.22966 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.23694 162.2
[M+Na]+ 249.21888 165.8
[M-H]- 225.22238 161.0
[M+NH4]+ 244.26348 180.6
[M+K]+ 265.19282 163.6
[M+H-H2O]+ 209.22692 156.3
[M+HCOO]- 271.22786 182.5
[M+CH3COO]- 285.24351 196.4
[M+Na-2H]- 247.20433 163.2
[M]+ 226.22911 167.1
[M]- 226.23021 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