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

1
Patents

220.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 147.8
[M+Na]+ 243.074018 155.5
[M-H]- 219.077524 149.5
[M+NH4]+ 238.118623 163.8
[M+K]+ 259.047958 151.9
[M+H-H2O]+ 203.082060 140.6
[M+HCOO]- 265.083001 165.4
[M+CH3COO]- 279.098651 182.8
[M+Na-2H]- 241.059466 148.7
[M]+ 220.08425142 144.5
[M]- 220.08534858 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

patents stripe