CID 200026

3,5-piperidinedicarbonitrile, 2,6-dioxo-4-hexyl-4-methyl-

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCCCCCC1(C(C(=O)NC(=O)C1C#N)C#N)C
InChI
InChI=1S/C14H19N3O2/c1-3-4-5-6-7-14(2)10(8-15)12(18)17-13(19)11(14)9-16/h10-11H,3-7H2,1-2H3,(H,17,18,19)
InChIKey
JFOVBTOGAPZLSM-UHFFFAOYSA-N
Compound name
4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.155016 160.3
[M+Na]+ 284.136958 169.5
[M-H]- 260.140464 162.3
[M+NH4]+ 279.181563 171.9
[M+K]+ 300.110898 165.1
[M+H-H2O]+ 244.145000 146.0
[M+HCOO]- 306.145941 168.9
[M+CH3COO]- 320.161591 224.0
[M+Na-2H]- 282.122406 160.4
[M]+ 261.14719142 152.0
[M]- 261.14828858 152.0
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.