CID 292625

7-pentadecanone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

249
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

No literature data available for this compound.

Patent stripe

patents stripe