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

16
Patents

191.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.6
[M+Na]+ 214.04746 146.6
[M-H]- 190.05096 142.3
[M+NH4]+ 209.09206 157.0
[M+K]+ 230.02140 143.7
[M+H-H2O]+ 174.05550 131.3
[M+HCOO]- 236.05644 159.5
[M+CH3COO]- 250.07209 178.5
[M+Na-2H]- 212.03291 140.8
[M]+ 191.05769 135.9
[M]- 191.05879 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