CID 91647642

4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C14H10ClN3O2
SMILES
CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H10ClN3O2/c1-14(8-3-2-4-9(15)5-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20)
InChIKey
TUOVZDIOMLOVGI-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05342 168.9
[M+Na]+ 310.03536 180.9
[M-H]- 286.03886 172.4
[M+NH4]+ 305.07996 180.0
[M+K]+ 326.00930 173.0
[M+H-H2O]+ 270.04340 154.4
[M+HCOO]- 332.04434 175.2
[M+CH3COO]- 346.05999 224.3
[M+Na-2H]- 308.02081 168.9
[M]+ 287.04559 160.1
[M]- 287.04669 160.1
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.