CID 70935

1192-34-3

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=CNC(=O)N1
InChI
InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
InChIKey
MCSCIFLXNFLCDV-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

191
Patents

98.04801 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.5
[M+Na]+ 121.03723 127.7
[M+NH4]+ 116.08183 123.9
[M+K]+ 137.01117 124.8
[M-H]- 97.040734 115.5
[M+Na-2H]- 119.02268 121.6
[M]+ 98.047461 117.4
[M]- 98.048559 117.4
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