CID 28065278

915922-14-4

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)O)N2CCNC2=O
InChI
InChI=1S/C11H12N2O3/c1-7-2-3-8(10(14)15)6-9(7)13-5-4-12-11(13)16/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15)
InChIKey
IIIUPHBWZXOBMI-UHFFFAOYSA-N
Compound name
4-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]+ 221.092076 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.