CID 3050000

4-(5-(dipropylamino)-4-hydroxy-2-methyl-1-oxopentyl)morpholine monohydrochloride

Structural Information

Molecular Formula
C16H32N2O3
SMILES
CCCN(CCC)CC(CC(C)C(=O)N1CCOCC1)O
InChI
InChI=1S/C16H32N2O3/c1-4-6-17(7-5-2)13-15(19)12-14(3)16(20)18-8-10-21-11-9-18/h14-15,19H,4-13H2,1-3H3
InChIKey
QJFRUZIFRPIBTR-UHFFFAOYSA-N
Compound name
5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.2413 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.24858 179.7
[M+Na]+ 323.23052 179.5
[M-H]- 299.23402 180.2
[M+NH4]+ 318.27512 191.2
[M+K]+ 339.20446 180.2
[M+H-H2O]+ 283.23856 171.3
[M+HCOO]- 345.23950 193.2
[M+CH3COO]- 359.25515 209.1
[M+Na-2H]- 321.21597 177.5
[M]+ 300.24075 179.2
[M]- 300.24185 179.2
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.