CID 10965262

2-ethoxyethyl hydrogen maleate

Structural Information

Molecular Formula
C8H12O5
SMILES
CCOCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C8H12O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h3-4H,2,5-6H2,1H3,(H,9,10)/b4-3-
InChIKey
PAUIKJKTXNZJEV-ARJAWSKDSA-N
Compound name
(Z)-4-(2-ethoxyethoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

188.06847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.075746 139.1
[M+Na]+ 211.057688 145.5
[M-H]- 187.061194 137.8
[M+NH4]+ 206.102293 157.9
[M+K]+ 227.031628 145.4
[M+H-H2O]+ 171.065730 134.1
[M+HCOO]- 233.066671 160.6
[M+CH3COO]- 247.082321 178.2
[M+Na-2H]- 209.043136 142.3
[M]+ 188.06792142 143.0
[M]- 188.06901858 143.0
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.