CID 58542458

7-benzyl-4,7-diazaspiro[2.5]octane-5,8-dione

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1CC12C(=O)N(CC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C13H14N2O2/c16-11-9-15(8-10-4-2-1-3-5-10)12(17)13(14-11)6-7-13/h1-5H,6-9H2,(H,14,16)
InChIKey
UWFQDZIBAQLYIZ-UHFFFAOYSA-N
Compound name
7-benzyl-4,7-diazaspiro[2.5]octane-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

230.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 159.2
[M+Na]+ 253.094748 168.4
[M-H]- 229.098254 164.4
[M+NH4]+ 248.139353 171.1
[M+K]+ 269.068688 163.7
[M+H-H2O]+ 213.102790 151.1
[M+HCOO]- 275.103731 176.4
[M+CH3COO]- 289.119381 169.8
[M+Na-2H]- 251.080196 164.0
[M]+ 230.10498142 157.2
[M]- 230.10607858 157.2
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