CID 18071372

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

Structural Information

Molecular Formula
C11H19N3O2
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CCCN
InChI
InChI=1S/C11H19N3O2/c12-7-4-8-14-9(15)11(13-10(14)16)5-2-1-3-6-11/h1-8,12H2,(H,13,16)
InChIKey
OXYGSILBZGKBBL-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.14772 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 152.5
[M+Na]+ 248.136938 157.9
[M-H]- 224.140444 152.8
[M+NH4]+ 243.181543 170.7
[M+K]+ 264.110878 154.3
[M+H-H2O]+ 208.144980 145.4
[M+HCOO]- 270.145921 168.4
[M+CH3COO]- 284.161571 186.5
[M+Na-2H]- 246.122386 154.0
[M]+ 225.14717142 144.9
[M]- 225.14826858 144.9
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.