CID 263652

61193-04-2

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]+ 192.076746 147.7
[M+Na]+ 214.058688 158.2
[M-H]- 190.062194 150.2
[M+NH4]+ 209.103293 161.0
[M+K]+ 230.032628 154.6
[M+H-H2O]+ 174.066730 133.9
[M+HCOO]- 236.067671 157.2
[M+CH3COO]- 250.083321 214.4
[M+Na-2H]- 212.044136 149.2
[M]+ 191.06892142 138.2
[M]- 191.07001858 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