CID 68028837

Mal-peg2-acid

Structural Information

Molecular Formula
C11H15NO6
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCC(=O)O
InChI
InChI=1S/C11H15NO6/c13-9-1-2-10(14)12(9)4-6-18-8-7-17-5-3-11(15)16/h1-2H,3-8H2,(H,15,16)
InChIKey
TXMDOUPVKVGPIS-UHFFFAOYSA-N
Compound name
3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

257.08994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09722 157.3
[M+Na]+ 280.07916 164.6
[M+NH4]+ 275.12376 161.0
[M+K]+ 296.05310 163.3
[M-H]- 256.08266 154.0
[M+Na-2H]- 278.06461 157.6
[M]+ 257.08939 156.7
[M]- 257.09049 156.7
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