CID 46193083

6,14-dimethyloctadecan-2-one

Structural Information

Molecular Formula
C20H40O
SMILES
CCCCC(C)CCCCCCCC(C)CCCC(=O)C
InChI
InChI=1S/C20H40O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h18-19H,5-17H2,1-4H3
InChIKey
HKRYKDQSFPAHCR-UHFFFAOYSA-N
Compound name
6,14-dimethyloctadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

296.30792 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.31520 185.9
[M+Na]+ 319.29714 187.1
[M-H]- 295.30064 183.9
[M+NH4]+ 314.34174 201.4
[M+K]+ 335.27108 184.4
[M+H-H2O]+ 279.30518 179.3
[M+HCOO]- 341.30612 202.6
[M+CH3COO]- 355.32177 212.8
[M+Na-2H]- 317.28259 181.7
[M]+ 296.30737 191.4
[M]- 296.30847 191.4
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