CID 115842

64635-92-3

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 170.2
[M+Na]+ 256.10564 177.4
[M+NH4]+ 251.15024 170.4
[M+K]+ 272.07958 166.8
[M-H]- 232.10914 158.9
[M+Na-2H]- 254.09109 168.2
[M]+ 233.11587 166.7
[M]- 233.11697 166.7
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

patents stripe