CID 2392392

1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C13H13NO3
SMILES
COC1=CC=C(C=C1)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C13H13NO3/c1-17-11-4-2-10(3-5-11)8-9-14-12(15)6-7-13(14)16/h2-7H,8-9H2,1H3
InChIKey
AXKRZHUMKQPDBD-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

231.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.0
[M+Na]+ 254.07876 158.2
[M-H]- 230.08226 155.0
[M+NH4]+ 249.12336 167.6
[M+K]+ 270.05270 155.2
[M+H-H2O]+ 214.08680 141.8
[M+HCOO]- 276.08774 172.9
[M+CH3COO]- 290.10339 189.8
[M+Na-2H]- 252.06421 152.1
[M]+ 231.08899 151.7
[M]- 231.09009 151.7
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