CID 5051771

2-[(carbamoylmethyl)amino]acetamide

Structural Information

Molecular Formula
C4H9N3O2
SMILES
C(C(=O)N)NCC(=O)N
InChI
InChI=1S/C4H9N3O2/c5-3(8)1-7-2-4(6)9/h7H,1-2H2,(H2,5,8)(H2,6,9)
InChIKey
HGMBEFYZNDKFQJ-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-oxoethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

131.06947 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.076746 125.9
[M+Na]+ 154.058688 131.3
[M-H]- 130.062194 125.3
[M+NH4]+ 149.103293 146.0
[M+K]+ 170.032628 131.5
[M+H-H2O]+ 114.066730 120.0
[M+HCOO]- 176.067671 150.8
[M+CH3COO]- 190.083321 178.7
[M+Na-2H]- 152.044136 129.8
[M]+ 131.06892142 121.9
[M]- 131.07001858 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe