CID 110392

2,9-dimethyldecan-5-one

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C)CCCC(=O)CCC(C)C
InChI
InChI=1S/C12H24O/c1-10(2)6-5-7-12(13)9-8-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey
DCKZDPOUHNXIBI-UHFFFAOYSA-N
Compound name
2,9-dimethyldecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

184.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 148.7
[M+Na]+ 207.17193 153.2
[M-H]- 183.17543 148.3
[M+NH4]+ 202.21653 168.8
[M+K]+ 223.14587 152.7
[M+H-H2O]+ 167.17997 143.7
[M+HCOO]- 229.18091 168.1
[M+CH3COO]- 243.19656 189.0
[M+Na-2H]- 205.15738 148.9
[M]+ 184.18216 151.1
[M]- 184.18326 151.1
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