CID 3040530

1-oxa-8-azaspiro(4.5)dec-3-ene-4-carboxylic acid, 8-methyl-2-oxo-, sodium salt

Structural Information

Molecular Formula
C10H13NO4
SMILES
CN1CCC2(CC1)C(=CC(=O)O2)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-11-4-2-10(3-5-11)7(9(13)14)6-8(12)15-10/h6H,2-5H2,1H3,(H,13,14)
InChIKey
MVVIHDJZBJLURL-UHFFFAOYSA-N
Compound name
8-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 143.3
[M+Na]+ 234.07368 150.7
[M-H]- 210.07718 147.0
[M+NH4]+ 229.11828 162.8
[M+K]+ 250.04762 150.1
[M+H-H2O]+ 194.08172 138.0
[M+HCOO]- 256.08266 160.5
[M+CH3COO]- 270.09831 181.1
[M+Na-2H]- 232.05913 146.9
[M]+ 211.08391 141.0
[M]- 211.08501 141.0
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.