CID 263652

4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1(C(C(=O)NC(=O)C1C#N)C#N)C
InChI
InChI=1S/C9H9N3O2/c1-9(2)5(3-10)7(13)12-8(14)6(9)4-11/h5-6H,1-2H3,(H,12,13,14)
InChIKey
WNUGDXSWWKZTSV-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 147.7
[M+Na]+ 214.05869 158.2
[M-H]- 190.06219 150.2
[M+NH4]+ 209.10329 161.0
[M+K]+ 230.03263 154.6
[M+H-H2O]+ 174.06673 133.9
[M+HCOO]- 236.06767 157.2
[M+CH3COO]- 250.08332 214.4
[M+Na-2H]- 212.04414 149.2
[M]+ 191.06892 138.2
[M]- 191.07002 138.2
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