CID 116363

2,4-heptadecanedione

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)C
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3
InChIKey
VZRNDOSIHXJXCH-UHFFFAOYSA-N
Compound name
heptadecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

268.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 171.5
[M+Na]+ 291.22945 179.3
[M+NH4]+ 286.27405 177.2
[M+K]+ 307.20339 172.3
[M-H]- 267.23295 169.8
[M+Na-2H]- 289.21490 171.9
[M]+ 268.23968 171.8
[M]- 268.24078 171.8
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