CID 3746818

52210-90-9

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CN(C(=O)N1)C2=CC=NC=C2
InChI
InChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChIKey
HKCFTGZESMCKJA-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

916
Patents

163.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 133.6
[M+Na]+ 186.063768 141.4
[M-H]- 162.067274 134.8
[M+NH4]+ 181.108373 150.9
[M+K]+ 202.037708 138.3
[M+H-H2O]+ 146.071810 125.1
[M+HCOO]- 208.072751 152.8
[M+CH3COO]- 222.088401 145.8
[M+Na-2H]- 184.049216 138.8
[M]+ 163.07400142 129.2
[M]- 163.07509858 129.2
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