CID 55264483

2,6-diazaspiro[3.5]nonan-5-one hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC2(CNC2)C(=O)NC1
InChI
InChI=1S/C7H12N2O/c10-6-7(4-8-5-7)2-1-3-9-6/h8H,1-5H2,(H,9,10)
InChIKey
QQHXGKYNAYVGHK-UHFFFAOYSA-N
Compound name
2,6-diazaspiro[3.5]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.5
[M+Na]+ 163.08418 134.2
[M-H]- 139.08768 129.1
[M+NH4]+ 158.12878 142.6
[M+K]+ 179.05812 134.4
[M+H-H2O]+ 123.09222 118.5
[M+HCOO]- 185.09316 143.6
[M+CH3COO]- 199.10881 169.6
[M+Na-2H]- 161.06963 135.9
[M]+ 140.09441 129.5
[M]- 140.09551 129.5
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