CID 54593592

1-amino-3-(2-aminoethyl)urea dihydrochloride

Structural Information

Molecular Formula
C3H10N4O
SMILES
C(CNC(=O)NN)N
InChI
InChI=1S/C3H10N4O/c4-1-2-6-3(8)7-5/h1-2,4-5H2,(H2,6,7,8)
InChIKey
DBAVTNQTYPYBHJ-UHFFFAOYSA-N
Compound name
1-amino-3-(2-aminoethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.085464 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.092740 122.1
[M+Na]+ 141.074682 127.3
[M-H]- 117.078188 121.8
[M+NH4]+ 136.119287 142.7
[M+K]+ 157.048622 127.4
[M+H-H2O]+ 101.082724 116.1
[M+HCOO]- 163.083665 149.0
[M+CH3COO]- 177.099315 177.5
[M+Na-2H]- 139.060130 128.1
[M]+ 118.08491542 116.8
[M]- 118.08601258 116.8
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

No patent data available for this compound.