CID 25220577

3-(2-oxoimidazolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CN(C(=O)N1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-3,6H,4-5H2,(H,11,15)(H,13,14)
InChIKey
REVYTXLGZSYHEG-UHFFFAOYSA-N
Compound name
3-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

206.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 143.4
[M+Na]+ 229.058358 150.7
[M-H]- 205.061864 145.0
[M+NH4]+ 224.102963 159.7
[M+K]+ 245.032298 147.3
[M+H-H2O]+ 189.066400 136.1
[M+HCOO]- 251.067341 161.4
[M+CH3COO]- 265.082991 178.6
[M+Na-2H]- 227.043806 145.5
[M]+ 206.06859142 139.3
[M]- 206.06968858 139.3
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