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]+ 262.15502 160.3
[M+Na]+ 284.13696 169.5
[M-H]- 260.14046 162.3
[M+NH4]+ 279.18156 171.9
[M+K]+ 300.11090 165.1
[M+H-H2O]+ 244.14500 146.0
[M+HCOO]- 306.14594 168.9
[M+CH3COO]- 320.16159 224.0
[M+Na-2H]- 282.12241 160.4
[M]+ 261.14719 152.0
[M]- 261.14829 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.