CID 24689256

3-(2-bromoethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CCBr
InChI
InChI=1S/C9H13BrN2O2/c10-5-6-12-7(13)9(11-8(12)14)3-1-2-4-9/h1-6H2,(H,11,14)
InChIKey
YMGZPVIVRDIJAI-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01605 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02333 152.5
[M+Na]+ 283.00527 163.8
[M-H]- 259.00877 157.1
[M+NH4]+ 278.04987 175.4
[M+K]+ 298.97921 152.8
[M+H-H2O]+ 243.01331 153.0
[M+HCOO]- 305.01425 169.1
[M+CH3COO]- 319.02990 186.3
[M+Na-2H]- 280.99072 155.3
[M]+ 260.01550 167.1
[M]- 260.01660 167.1
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.