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]+ 119.09274 122.1
[M+Na]+ 141.07468 127.3
[M-H]- 117.07819 121.8
[M+NH4]+ 136.11929 142.7
[M+K]+ 157.04862 127.4
[M+H-H2O]+ 101.08272 116.1
[M+HCOO]- 163.08366 149.0
[M+CH3COO]- 177.09932 177.5
[M+Na-2H]- 139.06013 128.1
[M]+ 118.08492 116.8
[M]- 118.08601 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.