CID 11715963

5-ethylpentadecane-2,4-dione

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCCCCC(CC)C(=O)CC(=O)C
InChI
InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-16(5-2)17(19)14-15(3)18/h16H,4-14H2,1-3H3
InChIKey
UWJUDBRYYHRLAO-UHFFFAOYSA-N
Compound name
5-ethylpentadecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.24023 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 173.5
[M+Na]+ 291.22945 176.1
[M-H]- 267.23295 172.0
[M+NH4]+ 286.27405 189.9
[M+K]+ 307.20339 174.1
[M+H-H2O]+ 251.23749 167.2
[M+HCOO]- 313.23843 191.6
[M+CH3COO]- 327.25408 204.9
[M+Na-2H]- 289.21490 170.9
[M]+ 268.23968 178.5
[M]- 268.24078 178.5
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