CID 79516262

1-(2-methylphenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC=CC=C1N2CC(=O)CC2=O
InChI
InChI=1S/C11H11NO2/c1-8-4-2-3-5-10(8)12-7-9(13)6-11(12)14/h2-5H,6-7H2,1H3
InChIKey
FKFANGHWGDMFRV-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.4
[M+Na]+ 212.06820 147.5
[M-H]- 188.07170 144.3
[M+NH4]+ 207.11280 158.8
[M+K]+ 228.04214 144.7
[M+H-H2O]+ 172.07624 131.8
[M+HCOO]- 234.07718 161.3
[M+CH3COO]- 248.09283 182.0
[M+Na-2H]- 210.05365 141.5
[M]+ 189.07843 137.5
[M]- 189.07953 137.5
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.