CID 3050866

67117-97-9

Structural Information

Molecular Formula
C10H17N3O3
SMILES
CCC(C(=O)NCC(=O)N)N1CCCC1=O
InChI
InChI=1S/C10H17N3O3/c1-2-7(10(16)12-6-8(11)14)13-5-3-4-9(13)15/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKey
XFZQMJRKEJEKDL-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.127 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13428 152.7
[M+Na]+ 250.11622 156.5
[M-H]- 226.11972 153.8
[M+NH4]+ 245.16082 169.8
[M+K]+ 266.09016 155.8
[M+H-H2O]+ 210.12426 145.5
[M+HCOO]- 272.12520 173.0
[M+CH3COO]- 286.14085 193.8
[M+Na-2H]- 248.10167 151.6
[M]+ 227.12645 149.3
[M]- 227.12755 149.3
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

patents stripe