CID 66586994

1-((4-methoxyphenyl)methyl)piperidine-2,6-dione

Structural Information

Molecular Formula
C13H15NO3
SMILES
COC1=CC=C(C=C1)CN2C(=O)CCCC2=O
InChI
InChI=1S/C13H15NO3/c1-17-11-7-5-10(6-8-11)9-14-12(15)3-2-4-13(14)16/h5-8H,2-4,9H2,1H3
InChIKey
OIGPWDHSJVVQHY-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

233.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.2
[M+Na]+ 256.09442 165.2
[M+NH4]+ 251.13902 159.8
[M+K]+ 272.06836 158.5
[M-H]- 232.09792 155.2
[M+Na-2H]- 254.07987 158.9
[M]+ 233.10465 154.8
[M]- 233.10575 154.8
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