CID 13348319

1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
C1CC2(CC=C1C(=O)O)OCCO2
InChI
InChI=1S/C9H12O4/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9/h1H,2-6H2,(H,10,11)
InChIKey
BLQAPOMFLDTGPM-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 137.0
[M+Na]+ 207.062778 142.8
[M-H]- 183.066284 142.2
[M+NH4]+ 202.107383 157.1
[M+K]+ 223.036718 144.0
[M+H-H2O]+ 167.070820 132.5
[M+HCOO]- 229.071761 154.7
[M+CH3COO]- 243.087411 174.1
[M+Na-2H]- 205.048226 143.3
[M]+ 184.07301142 134.3
[M]- 184.07410858 134.3
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.