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
3
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 161.1
[M+Na]+ 247.20324 164.7
[M-H]- 223.20674 160.2
[M+NH4]+ 242.24784 179.6
[M+K]+ 263.17718 162.8
[M+H-H2O]+ 207.21128 155.6
[M+HCOO]- 269.21222 179.7
[M+CH3COO]- 283.22787 196.4
[M+Na-2H]- 245.18869 159.7
[M]+ 224.21347 163.9
[M]- 224.21457 163.9
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

patents stripe