CID 458636

858001-69-1

Structural Information

Molecular Formula
C3H9N3O
SMILES
C(CNC(=O)N)N
InChI
InChI=1S/C3H9N3O/c4-1-2-6-3(5)7/h1-2,4H2,(H3,5,6,7)
InChIKey
ZULYWHOJRVBUJU-UHFFFAOYSA-N
Compound name
2-aminoethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

220
Patents

103.07456 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.08184 119.4
[M+Na]+ 126.06378 125.3
[M-H]- 102.06728 119.0
[M+NH4]+ 121.10838 140.9
[M+K]+ 142.03772 125.4
[M+H-H2O]+ 86.071820 113.9
[M+HCOO]- 148.07276 145.3
[M+CH3COO]- 162.08841 172.8
[M+Na-2H]- 124.04923 125.1
[M]+ 103.07401 114.9
[M]- 103.07511 114.9
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