CID 98719

1-(2,6-dimethylmorpholin-4-yl)nonan-1-one

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]+ 256.227106 166.5
[M+Na]+ 278.209048 170.3
[M-H]- 254.212554 167.9
[M+NH4]+ 273.253653 181.2
[M+K]+ 294.182988 169.3
[M+H-H2O]+ 238.217090 159.2
[M+HCOO]- 300.218031 182.2
[M+CH3COO]- 314.233681 198.8
[M+Na-2H]- 276.194496 166.8
[M]+ 255.21928142 167.7
[M]- 255.22037858 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.