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

1694
Patents

160.03717 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 132.6
[M+Na]+ 183.02639 140.1
[M+NH4]+ 178.07099 137.3
[M+K]+ 199.00033 137.8
[M-H]- 159.02989 128.3
[M+Na-2H]- 181.01184 133.0
[M]+ 160.03662 131.8
[M]- 160.03772 131.8
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