CID 3061450

1-(2-hydroxyphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1CC(=O)N(C1=O)C2=CC=CC=C2O
InChI
InChI=1S/C10H9NO3/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(11)14/h1-4,12H,5-6H2
InChIKey
QGMHYVXVMJXSEK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

191.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.6
[M+Na]+ 214.047458 146.6
[M-H]- 190.050964 142.3
[M+NH4]+ 209.092063 157.0
[M+K]+ 230.021398 143.7
[M+H-H2O]+ 174.055500 131.3
[M+HCOO]- 236.056441 159.5
[M+CH3COO]- 250.072091 178.5
[M+Na-2H]- 212.032906 140.8
[M]+ 191.05769142 135.9
[M]- 191.05878858 135.9
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

patents stripe