CID 98719

2,6-dimethyl-4-nonanoylmorpholine

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCCCCCCC(=O)N1CC(OC(C1)C)C
InChI
InChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-15(17)16-11-13(2)18-14(3)12-16/h13-14H,4-12H2,1-3H3
InChIKey
VUDLVSGHJABCPE-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylmorpholin-4-yl)nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 166.5
[M+Na]+ 278.20905 170.3
[M-H]- 254.21255 167.9
[M+NH4]+ 273.25365 181.2
[M+K]+ 294.18299 169.3
[M+H-H2O]+ 238.21709 159.2
[M+HCOO]- 300.21803 182.2
[M+CH3COO]- 314.23368 198.8
[M+Na-2H]- 276.19450 166.8
[M]+ 255.21928 167.7
[M]- 255.22038 167.7
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

No patent data available for this compound.