CID 169980819

Rac-methyl (5r,8r)-2-oxo-1-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC(=O)C1CCC2(CC1)CCC(=O)N2
InChI
InChI=1S/C11H17NO3/c1-15-10(14)8-2-5-11(6-3-8)7-4-9(13)12-11/h8H,2-7H2,1H3,(H,12,13)
InChIKey
PCIMLDYDJYAGID-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 148.9
[M+Na]+ 234.110068 153.9
[M-H]- 210.113574 151.0
[M+NH4]+ 229.154673 169.3
[M+K]+ 250.084008 151.8
[M+H-H2O]+ 194.118110 143.0
[M+HCOO]- 256.119051 164.9
[M+CH3COO]- 270.134701 180.4
[M+Na-2H]- 232.095516 150.4
[M]+ 211.12030142 142.7
[M]- 211.12139858 142.7
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