CID 494795

Nsc632225

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C(C=C1)C2=NOC3C2C(=O)NC3O
InChI
InChI=1S/C11H10N2O3/c14-10-7-8(6-4-2-1-3-5-6)13-16-9(7)11(15)12-10/h1-5,7,9,11,15H,(H,12,14)
InChIKey
KSXQFTBQVDROHD-UHFFFAOYSA-N
Compound name
6-hydroxy-3-phenyl-3a,5,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.8
[M+Na]+ 241.05836 154.0
[M-H]- 217.06186 148.6
[M+NH4]+ 236.10296 162.6
[M+K]+ 257.03230 151.0
[M+H-H2O]+ 201.06640 138.6
[M+HCOO]- 263.06734 163.0
[M+CH3COO]- 277.08299 157.4
[M+Na-2H]- 239.04381 147.8
[M]+ 218.06859 143.3
[M]- 218.06969 143.3
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.