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]+ 169.133546 138.1
[M+Na]+ 191.115488 143.3
[M-H]- 167.118994 139.9
[M+NH4]+ 186.160093 159.8
[M+K]+ 207.089428 140.2
[M+H-H2O]+ 151.123530 132.1
[M+HCOO]- 213.124471 155.6
[M+CH3COO]- 227.140121 175.1
[M+Na-2H]- 189.100936 141.2
[M]+ 168.12572142 128.1
[M]- 168.12681858 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