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

40
Patents

204.06339 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07067 142.1
[M+Na]+ 227.05261 147.9
[M-H]- 203.05611 139.3
[M+NH4]+ 222.09721 159.4
[M+K]+ 243.02655 147.4
[M+H-H2O]+ 187.06065 137.0
[M+HCOO]- 249.06159 162.3
[M+CH3COO]- 263.07724 177.9
[M+Na-2H]- 225.03806 144.8
[M]+ 204.06284 145.5
[M]- 204.06394 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