CID 300224

Nsc174554

Structural Information

Molecular Formula
C12H19NO4
SMILES
CCC(C1CCN(C(=O)C12CO2)C)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-4-8(10(14)16-3)9-5-6-13(2)11(15)12(9)7-17-12/h8-9H,4-7H2,1-3H3
InChIKey
AVYUYITXWXQTTI-UHFFFAOYSA-N
Compound name
methyl 2-(7-methyl-8-oxo-1-oxa-7-azaspiro[2.5]octan-4-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 158.6
[M+Na]+ 264.12063 167.0
[M-H]- 240.12413 164.3
[M+NH4]+ 259.16523 171.3
[M+K]+ 280.09457 166.8
[M+H-H2O]+ 224.12867 152.5
[M+HCOO]- 286.12961 174.6
[M+CH3COO]- 300.14526 195.3
[M+Na-2H]- 262.10608 161.5
[M]+ 241.13086 162.8
[M]- 241.13196 162.8
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.