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

90
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 153.7
[M+Na]+ 280.07916 160.5
[M-H]- 256.08266 154.3
[M+NH4]+ 275.12376 170.1
[M+K]+ 296.05310 159.4
[M+H-H2O]+ 240.08720 147.1
[M+HCOO]- 302.08814 174.9
[M+CH3COO]- 316.10379 190.8
[M+Na-2H]- 278.06461 155.0
[M]+ 257.08939 158.9
[M]- 257.09049 158.9
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