CID 119057035

Ethyl 2-oxa-6-azaspiro[3.4]octane-8-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C1CNCC12COC2
InChI
InChI=1S/C9H15NO3/c1-2-13-8(11)7-3-10-4-9(7)5-12-6-9/h7,10H,2-6H2,1H3
InChIKey
QCQPYEGWJXOVLA-UHFFFAOYSA-N
Compound name
ethyl 2-oxa-7-azaspiro[3.4]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 136.3
[M+Na]+ 208.09442 140.6
[M-H]- 184.09792 139.5
[M+NH4]+ 203.13902 150.1
[M+K]+ 224.06836 143.6
[M+H-H2O]+ 168.10246 126.6
[M+HCOO]- 230.10340 153.1
[M+CH3COO]- 244.11905 179.1
[M+Na-2H]- 206.07987 140.9
[M]+ 185.10465 143.0
[M]- 185.10575 143.0
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.