CID 3040580

6-(diisobutylamino)methyl-4-propyl-2,3-morpholinedione hydrobromide

Structural Information

Molecular Formula
C16H30N2O3
SMILES
CCCN1CC(OC(=O)C1=O)CN(CC(C)C)CC(C)C
InChI
InChI=1S/C16H30N2O3/c1-6-7-18-11-14(21-16(20)15(18)19)10-17(8-12(2)3)9-13(4)5/h12-14H,6-11H2,1-5H3
InChIKey
YSWYQCVHBXEWNY-UHFFFAOYSA-N
Compound name
6-[[bis(2-methylpropyl)amino]methyl]-4-propylmorpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23293 175.8
[M+Na]+ 321.21487 179.4
[M-H]- 297.21837 178.9
[M+NH4]+ 316.25947 189.1
[M+K]+ 337.18881 179.9
[M+H-H2O]+ 281.22291 168.1
[M+HCOO]- 343.22385 192.1
[M+CH3COO]- 357.23950 214.4
[M+Na-2H]- 319.20032 173.5
[M]+ 298.22510 178.5
[M]- 298.22620 178.5
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.