CID 115587

Sodium 1,4-dimethyl-2-isopropyl-7,9-diazaspiro(4.5)decane-6,8,10-trione

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC1CC(C(C12C(=O)NC(=O)NC2=O)C)C(C)C
InChI
InChI=1S/C13H20N2O3/c1-6(2)9-5-7(3)13(8(9)4)10(16)14-12(18)15-11(13)17/h6-9H,5H2,1-4H3,(H2,14,15,16,17,18)
InChIKey
RBVQAYDICLPGOD-UHFFFAOYSA-N
Compound name
1,4-dimethyl-3-propan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 158.2
[M+Na]+ 275.136618 165.9
[M-H]- 251.140124 158.7
[M+NH4]+ 270.181223 176.0
[M+K]+ 291.110558 161.9
[M+H-H2O]+ 235.144660 153.0
[M+HCOO]- 297.145601 170.9
[M+CH3COO]- 311.161251 191.8
[M+Na-2H]- 273.122066 156.0
[M]+ 252.14685142 152.7
[M]- 252.14794858 152.7
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.