CID 44541206

1194473-21-6

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C(C=C1)CN2C=CN(C2=O)O
InChI
InChI=1S/C10H10N2O2/c13-10-11(6-7-12(10)14)8-9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKey
KEOZDNMCRGLMHT-UHFFFAOYSA-N
Compound name
1-benzyl-3-hydroxyimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

190.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 137.7
[M+Na]+ 213.06345 147.6
[M-H]- 189.06695 141.3
[M+NH4]+ 208.10805 155.9
[M+K]+ 229.03739 144.2
[M+H-H2O]+ 173.07149 130.1
[M+HCOO]- 235.07243 160.7
[M+CH3COO]- 249.08808 178.3
[M+Na-2H]- 211.04890 143.4
[M]+ 190.07368 138.3
[M]- 190.07478 138.3
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