CID 3050865

67117-96-8

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CC(C(=O)NCC(=O)N)N1CCCC1=O
InChI
InChI=1S/C9H15N3O3/c1-6(9(15)11-5-7(10)13)12-4-2-3-8(12)14/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)
InChIKey
BLCAGFUPTVBLJY-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.11134 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.118616 148.2
[M+Na]+ 236.100558 152.5
[M-H]- 212.104064 149.5
[M+NH4]+ 231.145163 165.9
[M+K]+ 252.074498 152.0
[M+H-H2O]+ 196.108600 141.1
[M+HCOO]- 258.109541 168.9
[M+CH3COO]- 272.125191 190.8
[M+Na-2H]- 234.086006 147.6
[M]+ 213.11079142 144.4
[M]- 213.11188858 144.4
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