CID 11208851

8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione

Structural Information

Molecular Formula
C13H20BrNO2
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCBr
InChI
InChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
InChIKey
QQCVFKSWYYHXMA-UHFFFAOYSA-N
Compound name
8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

301.06775 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07503 164.9
[M+Na]+ 324.05697 174.0
[M-H]- 300.06047 170.8
[M+NH4]+ 319.10157 186.4
[M+K]+ 340.03091 162.7
[M+H-H2O]+ 284.06501 164.9
[M+HCOO]- 346.06595 180.5
[M+CH3COO]- 360.08160 197.4
[M+Na-2H]- 322.04242 167.4
[M]+ 301.06720 180.0
[M]- 301.06830 180.0
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