CID 6433994

Monohydroxyethyl maleate

Structural Information

Molecular Formula
C6H8O5
SMILES
C(COC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-
InChIKey
MAIIXYUYRNFKPL-UPHRSURJSA-N
Compound name
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2026
Patents

160.03717 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.044446 130.8
[M+Na]+ 183.026388 137.5
[M-H]- 159.029894 128.3
[M+NH4]+ 178.070993 149.9
[M+K]+ 199.000328 137.0
[M+H-H2O]+ 143.034430 126.3
[M+HCOO]- 205.035371 151.4
[M+CH3COO]- 219.051021 169.7
[M+Na-2H]- 181.011836 134.4
[M]+ 160.03662142 131.9
[M]- 160.03771858 131.9
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