CID 12799

1,3-diazaspiro[4.5]decane-2,4-dione

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CCC2(CC1)C(=O)NC(=O)N2
InChI
InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)
InChIKey
NERNEXMEYQFFHU-UHFFFAOYSA-N
Compound name
1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

504
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 137.6
[M+Na]+ 191.07909 143.8
[M-H]- 167.08259 137.2
[M+NH4]+ 186.12369 157.6
[M+K]+ 207.05303 140.4
[M+H-H2O]+ 151.08713 131.2
[M+HCOO]- 213.08807 152.6
[M+CH3COO]- 227.10372 169.3
[M+Na-2H]- 189.06454 141.1
[M]+ 168.08932 128.3
[M]- 168.09042 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe