CID 109184

8,12-dimethyltridec-11-en-6-one

Structural Information

Molecular Formula
C15H28O
SMILES
CCCCCC(=O)CC(C)CCC=C(C)C
InChI
InChI=1S/C15H28O/c1-5-6-7-11-15(16)12-14(4)10-8-9-13(2)3/h9,14H,5-8,10-12H2,1-4H3
InChIKey
YPCQEZZZPUSVEB-UHFFFAOYSA-N
Compound name
8,12-dimethyltridec-11-en-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

224.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 160.3
[M+Na]+ 247.20324 168.7
[M+NH4]+ 242.24784 166.8
[M+K]+ 263.17718 162.3
[M-H]- 223.20674 159.0
[M+Na-2H]- 245.18869 161.3
[M]+ 224.21347 160.8
[M]- 224.21457 160.8
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