CID 3064263

102043-60-7

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCC(CCC)C(=O)N1C(COC(C1C2=CC=CC=C2)C)C
InChI
InChI=1S/C20H31NO2/c1-5-10-18(11-6-2)20(22)21-15(3)14-23-16(4)19(21)17-12-8-7-9-13-17/h7-9,12-13,15-16,18-19H,5-6,10-11,14H2,1-4H3
InChIKey
VMCAOURZMQMJLW-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 181.8
[M+Na]+ 340.22469 185.4
[M-H]- 316.22819 186.4
[M+NH4]+ 335.26929 193.6
[M+K]+ 356.19863 183.1
[M+H-H2O]+ 300.23273 173.0
[M+HCOO]- 362.23367 196.2
[M+CH3COO]- 376.24932 211.5
[M+Na-2H]- 338.21014 179.9
[M]+ 317.23492 181.9
[M]- 317.23602 181.9
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.