CID 6433521

10099-72-6

Structural Information

Molecular Formula
C8H12O6
SMILES
C(COCCOC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C8H12O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h1-2,9H,3-6H2,(H,10,11)/b2-1-
InChIKey
JHJLPMDWCPTBLD-UPHRSURJSA-N
Compound name
(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

204.06339 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.070666 142.1
[M+Na]+ 227.052608 147.9
[M-H]- 203.056114 139.3
[M+NH4]+ 222.097213 159.4
[M+K]+ 243.026548 147.4
[M+H-H2O]+ 187.060650 137.0
[M+HCOO]- 249.061591 162.3
[M+CH3COO]- 263.077241 177.9
[M+Na-2H]- 225.038056 144.8
[M]+ 204.06284142 145.5
[M]- 204.06393858 145.5
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

patents stripe