CID 79787

1-ethyl-3-hydroxyurea

Structural Information

Molecular Formula
C3H8N2O2
SMILES
CCNC(=O)NO
InChI
InChI=1S/C3H8N2O2/c1-2-4-3(6)5-7/h7H,2H2,1H3,(H2,4,5,6)
InChIKey
PPWNKYXWTZJASD-UHFFFAOYSA-N
Compound name
1-ethyl-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

104.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06586 119.1
[M+Na]+ 127.04780 126.8
[M+NH4]+ 122.09240 125.9
[M+K]+ 143.02174 123.5
[M-H]- 103.05130 118.2
[M+Na-2H]- 125.03325 122.2
[M]+ 104.05803 119.3
[M]- 104.05913 119.3
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