CID 3050000

Morpholine, 4-(5-(dipropylamino)-4-hydroxy-2-methyl-1-oxopentyl)-, 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]+ 301.248576 179.7
[M+Na]+ 323.230518 179.5
[M-H]- 299.234024 180.2
[M+NH4]+ 318.275123 191.2
[M+K]+ 339.204458 180.2
[M+H-H2O]+ 283.238560 171.3
[M+HCOO]- 345.239501 193.2
[M+CH3COO]- 359.255151 209.1
[M+Na-2H]- 321.215966 177.5
[M]+ 300.24075142 179.2
[M]- 300.24184858 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.