CID 3067789

N-(4-(4-morpholinyl)-4-oxobutyl)butanamide

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CCCC(=O)NCCCC(=O)N1CCOCC1
InChI
InChI=1S/C12H22N2O3/c1-2-4-11(15)13-6-3-5-12(16)14-7-9-17-10-8-14/h2-10H2,1H3,(H,13,15)
InChIKey
BRALNIZWIQDXAA-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-yl-4-oxobutyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 159.8
[M+Na]+ 265.152258 162.1
[M-H]- 241.155764 160.9
[M+NH4]+ 260.196863 173.8
[M+K]+ 281.126198 162.1
[M+H-H2O]+ 225.160300 151.9
[M+HCOO]- 287.161241 176.9
[M+CH3COO]- 301.176891 193.8
[M+Na-2H]- 263.137706 162.2
[M]+ 242.16249142 158.3
[M]- 242.16358858 158.3
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.