CID 61548905

1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC1=CC=C(C=C1)CN2CCC(=O)C2=O
InChI
InChI=1S/C12H13NO3/c1-16-10-4-2-9(3-5-10)8-13-7-6-11(14)12(13)15/h2-5H,6-8H2,1H3
InChIKey
RLACTNDBNVKVNM-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 148.4
[M+Na]+ 242.07876 160.4
[M+NH4]+ 237.12336 155.9
[M+K]+ 258.05270 156.1
[M-H]- 218.08226 150.5
[M+Na-2H]- 240.06421 154.2
[M]+ 219.08899 150.5
[M]- 219.09009 150.5
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.