CID 115842

4-butyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCCCC1(C(C(=O)NC(=O)C1C#N)C#N)C
InChI
InChI=1S/C12H15N3O2/c1-3-4-5-12(2)8(6-13)10(16)15-11(17)9(12)7-14/h8-9H,3-5H2,1-2H3,(H,15,16,17)
InChIKey
CBZUMPOKTUVIOS-UHFFFAOYSA-N
Compound name
4-butyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 155.3
[M+Na]+ 256.10564 165.0
[M-H]- 232.10914 157.5
[M+NH4]+ 251.15024 167.5
[M+K]+ 272.07958 161.0
[M+H-H2O]+ 216.11368 141.2
[M+HCOO]- 278.11462 164.3
[M+CH3COO]- 292.13027 220.2
[M+Na-2H]- 254.09109 156.0
[M]+ 233.11587 146.5
[M]- 233.11697 146.5
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