CID 22291220

1,7-diazaspiro[4.4]nonan-6-one hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC2(CCNC2=O)NC1
InChI
InChI=1S/C7H12N2O/c10-6-7(3-5-8-6)2-1-4-9-7/h9H,1-5H2,(H,8,10)
InChIKey
KSQRQLBTULNMJS-UHFFFAOYSA-N
Compound name
1,7-diazaspiro[4.4]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

140.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 132.0
[M+Na]+ 163.08418 138.3
[M-H]- 139.08768 132.0
[M+NH4]+ 158.12878 154.9
[M+K]+ 179.05812 135.6
[M+H-H2O]+ 123.09222 125.8
[M+HCOO]- 185.09316 149.2
[M+CH3COO]- 199.10881 143.9
[M+Na-2H]- 161.06963 135.1
[M]+ 140.09441 123.5
[M]- 140.09551 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

literature stripe

Patent stripe

patents stripe