CID 79517890

1-(4-methoxyphenyl)piperidine-2,4-dione

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC1=CC=C(C=C1)N2CCC(=O)CC2=O
InChI
InChI=1S/C12H13NO3/c1-16-11-4-2-9(3-5-11)13-7-6-10(14)8-12(13)15/h2-5H,6-8H2,1H3
InChIKey
RSXNYWDYOOQHHZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.1
[M+Na]+ 242.07876 153.7
[M-H]- 218.08226 151.4
[M+NH4]+ 237.12336 163.1
[M+K]+ 258.05270 151.3
[M+H-H2O]+ 202.08680 138.4
[M+HCOO]- 264.08774 166.6
[M+CH3COO]- 278.10339 187.6
[M+Na-2H]- 240.06421 150.3
[M]+ 219.08899 144.8
[M]- 219.09009 144.8
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.