CID 6951385

1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

191.05824 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe