CID 3833872

879319-16-1

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)O
InChI
InChI=1S/C13H12N2O4/c16-10(17)7-15-11(18)13(14-12(15)19)6-5-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,14,19)(H,16,17)
InChIKey
HMFNAAYSERMSLD-UHFFFAOYSA-N
Compound name
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

260.0797 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 157.3
[M+Na]+ 283.06892 166.1
[M-H]- 259.07242 159.3
[M+NH4]+ 278.11352 176.8
[M+K]+ 299.04286 161.8
[M+H-H2O]+ 243.07696 151.5
[M+HCOO]- 305.07790 173.7
[M+CH3COO]- 319.09355 188.5
[M+Na-2H]- 281.05437 158.5
[M]+ 260.07915 154.9
[M]- 260.08025 154.9
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