CID 6661

1,3-dimethyl-2-imidazolidinone

Structural Information

Molecular Formula
C5H10N2O
SMILES
CN1CCN(C1=O)C
InChI
InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKey
CYSGHNMQYZDMIA-UHFFFAOYSA-N
Compound name
1,3-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

125617
Patents

114.079315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.08659 121.6
[M+Na]+ 137.06853 130.7
[M-H]- 113.07204 122.7
[M+NH4]+ 132.11314 143.8
[M+K]+ 153.04247 130.4
[M+H-H2O]+ 97.076575 115.5
[M+HCOO]- 159.07752 143.1
[M+CH3COO]- 173.09317 168.9
[M+Na-2H]- 135.05398 126.1
[M]+ 114.07877 120.4
[M]- 114.07986 120.4
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