CID 138987453

Methyl 5-oxa-8-azaspiro[3.5]nonane-6-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)C1CNCC2(O1)CCC2
InChI
InChI=1S/C9H15NO3/c1-12-8(11)7-5-10-6-9(13-7)3-2-4-9/h7,10H,2-6H2,1H3
InChIKey
DFLZMQADBFKGOY-UHFFFAOYSA-N
Compound name
methyl 5-oxa-8-azaspiro[3.5]nonane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 136.5
[M+Na]+ 208.094418 140.2
[M-H]- 184.097924 139.2
[M+NH4]+ 203.139023 148.4
[M+K]+ 224.068358 143.5
[M+H-H2O]+ 168.102460 125.8
[M+HCOO]- 230.103401 151.2
[M+CH3COO]- 244.119051 179.5
[M+Na-2H]- 206.079866 142.4
[M]+ 185.10465142 141.2
[M]- 185.10574858 141.2
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

No patent data available for this compound.