CID 67148427

1-(3-methylphenyl)piperidine-2,4-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC(=CC=C1)N2CCC(=O)CC2=O
InChI
InChI=1S/C12H13NO2/c1-9-3-2-4-10(7-9)13-6-5-11(14)8-12(13)15/h2-4,7H,5-6,8H2,1H3
InChIKey
GPBWVRVYIVBCSC-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 143.0
[M+Na]+ 226.083858 150.8
[M-H]- 202.087364 148.3
[M+NH4]+ 221.128463 160.8
[M+K]+ 242.057798 147.8
[M+H-H2O]+ 186.091900 135.6
[M+HCOO]- 248.092841 163.3
[M+CH3COO]- 262.108491 185.5
[M+Na-2H]- 224.069306 147.1
[M]+ 203.09409142 140.3
[M]- 203.09518858 140.3
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

patents stripe