CID 3040601

4-ethyl-6-(1-piperidinylmethyl)-2,3-morpholinedione monohydrobromide

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCN1CC(OC(=O)C1=O)CN2CCCCC2
InChI
InChI=1S/C12H20N2O3/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13/h10H,2-9H2,1H3
InChIKey
ZURJAMARAGRHAA-UHFFFAOYSA-N
Compound name
4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 157.1
[M+Na]+ 263.136618 161.7
[M-H]- 239.140124 160.3
[M+NH4]+ 258.181223 170.3
[M+K]+ 279.110558 160.6
[M+H-H2O]+ 223.144660 148.4
[M+HCOO]- 285.145601 170.8
[M+CH3COO]- 299.161251 191.7
[M+Na-2H]- 261.122066 158.7
[M]+ 240.14685142 152.6
[M]- 240.14794858 152.6
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.