CID 12676225

3-amino-1-ethylurea

Structural Information

Molecular Formula
C3H9N3O
SMILES
CCNC(=O)NN
InChI
InChI=1S/C3H9N3O/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKey
CJYIAZYTBJVFOT-UHFFFAOYSA-N
Compound name
1-amino-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

103.07456 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.08184 119.5
[M+Na]+ 126.06378 125.5
[M-H]- 102.06728 119.7
[M+NH4]+ 121.10838 141.4
[M+K]+ 142.03772 125.9
[M+H-H2O]+ 86.071820 114.1
[M+HCOO]- 148.07276 146.0
[M+CH3COO]- 162.08841 172.7
[M+Na-2H]- 124.04923 126.3
[M]+ 103.07401 116.0
[M]- 103.07511 116.0
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