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]+ 212.091736 143.3
[M+Na]+ 234.073678 150.7
[M-H]- 210.077184 147.0
[M+NH4]+ 229.118283 162.8
[M+K]+ 250.047618 150.1
[M+H-H2O]+ 194.081720 138.0
[M+HCOO]- 256.082661 160.5
[M+CH3COO]- 270.098311 181.1
[M+Na-2H]- 232.059126 146.9
[M]+ 211.08391142 141.0
[M]- 211.08500858 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.