CID 99720

57998-96-6

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CC2=CC=CC=C2C3(C1)C(=O)NC(=O)N3
InChI
InChI=1S/C12H12N2O2/c15-10-12(14-11(16)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15,16)
InChIKey
OZYWLMZRNIFQPM-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

24
Patents

216.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 148.2
[M+Na]+ 239.079088 156.2
[M-H]- 215.082594 149.3
[M+NH4]+ 234.123693 167.7
[M+K]+ 255.053028 150.7
[M+H-H2O]+ 199.087130 141.2
[M+HCOO]- 261.088071 163.2
[M+CH3COO]- 275.103721 159.2
[M+Na-2H]- 237.064536 152.8
[M]+ 216.08932142 141.1
[M]- 216.09041858 141.1
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