CID 336756

9-methyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CN1CCC2(CC1)C(C(=O)NC(=O)C2C#N)C#N
InChI
InChI=1S/C12H14N4O2/c1-16-4-2-12(3-5-16)8(6-13)10(17)15-11(18)9(12)7-14/h8-9H,2-5H2,1H3,(H,15,17,18)
InChIKey
FIESYJMSBIQRTJ-UHFFFAOYSA-N
Compound name
9-methyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 157.9
[M+Na]+ 269.10090 167.2
[M-H]- 245.10440 159.4
[M+NH4]+ 264.14550 168.6
[M+K]+ 285.07484 161.3
[M+H-H2O]+ 229.10894 142.4
[M+HCOO]- 291.10988 163.8
[M+CH3COO]- 305.12553 220.1
[M+Na-2H]- 267.08635 158.4
[M]+ 246.11113 145.3
[M]- 246.11223 145.3
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.