CID 537779

5,9-dimethyl-2-decanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 148.7
[M+Na]+ 207.171928 153.2
[M-H]- 183.175434 148.3
[M+NH4]+ 202.216533 168.8
[M+K]+ 223.145868 152.7
[M+H-H2O]+ 167.179970 143.7
[M+HCOO]- 229.180911 168.1
[M+CH3COO]- 243.196561 189.0
[M+Na-2H]- 205.157376 148.9
[M]+ 184.18216142 151.1
[M]- 184.18325858 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

literature stripe

Patent stripe

patents stripe