CID 79517536

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.0
[M+Na]+ 226.08386 150.8
[M-H]- 202.08736 148.3
[M+NH4]+ 221.12846 160.8
[M+K]+ 242.05780 147.8
[M+H-H2O]+ 186.09190 135.6
[M+HCOO]- 248.09284 163.3
[M+CH3COO]- 262.10849 185.5
[M+Na-2H]- 224.06931 147.1
[M]+ 203.09409 140.3
[M]- 203.09519 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

No patent data available for this compound.