CID 212772

24866-79-3

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1CC(=O)NC(=O)C1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H12ClNO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(15)14-12(9)16/h1-2,4-5,9H,3,6-7H2,(H,14,15,16)
InChIKey
PNPLYIUMWFHECA-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

237.05565 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 150.2
[M+Na]+ 260.04487 158.3
[M-H]- 236.04837 153.9
[M+NH4]+ 255.08947 166.7
[M+K]+ 276.01881 152.6
[M+H-H2O]+ 220.05291 143.7
[M+HCOO]- 282.05385 164.3
[M+CH3COO]- 296.06950 186.7
[M+Na-2H]- 258.03032 153.3
[M]+ 237.05510 147.7
[M]- 237.05620 147.7
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.