CID 23111903

2,7-diazaspiro[4.4]nonan-3-one hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CNCC12CC(=O)NC2
InChI
InChI=1S/C7H12N2O/c10-6-3-7(5-9-6)1-2-8-4-7/h8H,1-5H2,(H,9,10)
InChIKey
WIGUNJUDINBXPD-UHFFFAOYSA-N
Compound name
2,7-diazaspiro[4.4]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 132.0
[M+Na]+ 163.084178 138.3
[M-H]- 139.087684 132.0
[M+NH4]+ 158.128783 154.9
[M+K]+ 179.058118 135.6
[M+H-H2O]+ 123.092220 125.8
[M+HCOO]- 185.093161 149.2
[M+CH3COO]- 199.108811 143.9
[M+Na-2H]- 161.069626 135.1
[M]+ 140.09441142 123.5
[M]- 140.09550858 123.5
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

patents stripe