CID 21286131

Potassium 2-(1'-ethoxy)ethoxypropionate

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

CCOC(C)OC(C)C(=O)O

InChI

InChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)

InChIKey

FRGRNGNKLISCCU-UHFFFAOYSA-N

Compound name

2-(1-ethoxyethoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 211
Patents: 162.0892 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]+	163.09648	134.9
[M+Na]+	185.07842	140.9
[M-H]-	161.08192	133.8
[M+NH4]+	180.12302	154.8
[M+K]+	201.05236	142.2
[M+H-H2O]+	145.08646	130.2
[M+HCOO]-	207.08740	155.1
[M+CH3COO]-	221.10305	177.2
[M+Na-2H]-	183.06387	137.2
[M]+	162.08865	137.9
[M]-	162.08975	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe