CID 15567528

83962-06-5

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCC1=CNC(=O)N1
InChI
InChI=1S/C5H8N2O/c1-2-4-3-6-5(8)7-4/h3H,2H2,1H3,(H2,6,7,8)
InChIKey
YNKXUNTWNWDIED-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

112.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.2
[M+Na]+ 135.052878 129.6
[M-H]- 111.056384 118.9
[M+NH4]+ 130.097483 140.9
[M+K]+ 151.026818 126.9
[M+H-H2O]+ 95.060920 114.3
[M+HCOO]- 157.061861 141.5
[M+CH3COO]- 171.077511 161.7
[M+Na-2H]- 133.038326 126.3
[M]+ 112.06311142 117.7
[M]- 112.06420858 117.7
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