CID 58615081

8-amino-2-azaspiro[4.5]decan-3-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CC2(CCC1N)CC(=O)NC2
InChI
InChI=1S/C9H16N2O/c10-7-1-3-9(4-2-7)5-8(12)11-6-9/h7H,1-6,10H2,(H,11,12)
InChIKey
BVLKRYJHZIYNIK-UHFFFAOYSA-N
Compound name
8-amino-2-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.1
[M+Na]+ 191.11549 143.3
[M-H]- 167.11899 139.9
[M+NH4]+ 186.16009 159.8
[M+K]+ 207.08943 140.2
[M+H-H2O]+ 151.12353 132.1
[M+HCOO]- 213.12447 155.6
[M+CH3COO]- 227.14012 175.1
[M+Na-2H]- 189.10094 141.2
[M]+ 168.12572 128.1
[M]- 168.12682 128.1
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