CID 15078608

2-[2-(2-phthalimidoethoxy)ethoxy]acetic acid

Structural Information

Molecular Formula

C₁₄H₁₅NO₆

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOCCOCC(=O)O

InChI

InChI=1S/C14H15NO6/c16-12(17)9-21-8-7-20-6-5-15-13(18)10-3-1-2-4-11(10)14(15)19/h1-4H,5-9H2,(H,16,17)

InChIKey

AGGILFWPOHHPKV-UHFFFAOYSA-N

Compound name

2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 293.08994 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.097216	162.4
[M+Na]+	316.079158	169.9
[M-H]-	292.082664	164.1
[M+NH4]+	311.123763	178.4
[M+K]+	332.053098	167.7
[M+H-H2O]+	276.087200	155.6
[M+HCOO]-	338.088141	182.3
[M+CH3COO]-	352.103791	198.7
[M+Na-2H]-	314.064606	164.5
[M]+	293.08939142	167.9
[M]-	293.09048858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe