CID 54595573

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

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=C(C=CC=C1N2CCNC2=O)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
InChIKey
LBXZUEMSUVQWIJ-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.8
[M+Na]+ 243.07402 155.5
[M-H]- 219.07752 149.5
[M+NH4]+ 238.11862 163.8
[M+K]+ 259.04796 151.9
[M+H-H2O]+ 203.08206 140.6
[M+HCOO]- 265.08300 165.4
[M+CH3COO]- 279.09865 182.8
[M+Na-2H]- 241.05947 148.7
[M]+ 220.08425 144.5
[M]- 220.08535 144.5
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

No patent data available for this compound.