CID 3050860

1-pyrrolidineacetamide, n-(2-(butylamino)-2-oxoethyl)-2-oxo-

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCCCNC(=O)CNC(=O)CN1CCCC1=O
InChI
InChI=1S/C12H21N3O3/c1-2-3-6-13-10(16)8-14-11(17)9-15-7-4-5-12(15)18/h2-9H2,1H3,(H,13,16)(H,14,17)
InChIKey
CXCDJTJAAYSFKP-UHFFFAOYSA-N
Compound name
N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.1583 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 161.9
[M+Na]+ 278.14752 166.8
[M+NH4]+ 273.19212 166.4
[M+K]+ 294.12146 164.9
[M-H]- 254.15102 160.6
[M+Na-2H]- 276.13297 162.3
[M]+ 255.15775 161.4
[M]- 255.15885 161.4
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

patents stripe