CID 7131616

4,5-dimethyl-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=C(NC(=O)N1)C
InChI
InChI=1S/C5H8N2O/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
InChIKey
JRKFAGHOOSDGOQ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

112.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.9
[M+Na]+ 135.05288 130.3
[M-H]- 111.05638 119.0
[M+NH4]+ 130.09748 140.9
[M+K]+ 151.02682 127.5
[M+H-H2O]+ 95.060920 114.3
[M+HCOO]- 157.06186 141.2
[M+CH3COO]- 171.07751 162.9
[M+Na-2H]- 133.03833 125.3
[M]+ 112.06311 117.8
[M]- 112.06421 117.8
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