CID 3050918

Brn 0242189

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)CC1CCCCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C13H20N2O3/c1-8(2)7-9-5-3-4-6-13(9)10(16)14-12(18)15-11(13)17/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
XEKVJTDFJWGCSH-UHFFFAOYSA-N
Compound name
11-(2-methylpropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 160.0
[M+Na]+ 275.13662 164.9
[M-H]- 251.14012 159.2
[M+NH4]+ 270.18122 175.1
[M+K]+ 291.11056 161.0
[M+H-H2O]+ 235.14466 153.2
[M+HCOO]- 297.14560 170.4
[M+CH3COO]- 311.16125 189.8
[M+Na-2H]- 273.12207 160.2
[M]+ 252.14685 151.4
[M]- 252.14795 151.4
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.