CID 18776246

3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanenitrile

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CCC#N
InChI
InChI=1S/C10H13N3O2/c11-6-3-7-13-8(14)10(12-9(13)15)4-1-2-5-10/h1-5,7H2,(H,12,15)
InChIKey
PGESNTIBOXIKOR-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 143.9
[M+Na]+ 230.08999 153.7
[M-H]- 206.09349 144.9
[M+NH4]+ 225.13459 162.9
[M+K]+ 246.06393 148.5
[M+H-H2O]+ 190.09803 130.7
[M+HCOO]- 252.09897 158.9
[M+CH3COO]- 266.11462 192.6
[M+Na-2H]- 228.07544 145.3
[M]+ 207.10022 135.2
[M]- 207.10132 135.2
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

No patent data available for this compound.