CID 56936237

7-ethyltridecan-6-one

Structural Information

Molecular Formula
C15H30O
SMILES
CCCCCCC(CC)C(=O)CCCCC
InChI
InChI=1S/C15H30O/c1-4-7-9-11-12-14(6-3)15(16)13-10-8-5-2/h14H,4-13H2,1-3H3
InChIKey
BWVGGQJBXODGKI-UHFFFAOYSA-N
Compound name
7-ethyltridecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.22966 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.23694 162.7
[M+Na]+ 249.21888 166.1
[M-H]- 225.22238 161.5
[M+NH4]+ 244.26348 181.0
[M+K]+ 265.19282 164.3
[M+H-H2O]+ 209.22692 156.9
[M+HCOO]- 271.22786 182.0
[M+CH3COO]- 285.24351 197.2
[M+Na-2H]- 247.20433 162.4
[M]+ 226.22911 166.9
[M]- 226.23021 166.9
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.