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

62
Patents

104.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.065856 119.0
[M+Na]+ 127.047798 125.5
[M-H]- 103.051304 118.4
[M+NH4]+ 122.092403 140.8
[M+K]+ 143.021738 125.8
[M+H-H2O]+ 87.055840 114.2
[M+HCOO]- 149.056781 144.0
[M+CH3COO]- 163.072431 167.7
[M+Na-2H]- 125.033246 126.2
[M]+ 104.05803142 116.9
[M]- 104.05912858 116.9
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