CID 22975585

1,7-diazaspiro[3.5]nonan-2-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CNCCC12CC(=O)N2
InChI
InChI=1S/C7H12N2O/c10-6-5-7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKey
WEEQWFARSHIYOT-UHFFFAOYSA-N
Compound name
1,7-diazaspiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

140.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.5
[M+Na]+ 163.084178 134.2
[M-H]- 139.087684 129.1
[M+NH4]+ 158.128783 142.6
[M+K]+ 179.058118 134.4
[M+H-H2O]+ 123.092220 118.5
[M+HCOO]- 185.093161 143.6
[M+CH3COO]- 199.108811 169.6
[M+Na-2H]- 161.069626 135.9
[M]+ 140.09441142 129.5
[M]- 140.09550858 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