CID 16718859

4-(2-methoxyethoxy)butanoic acid

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

COCCOCCCC(=O)O

InChI

InChI=1S/C7H14O4/c1-10-5-6-11-4-2-3-7(8)9/h2-6H2,1H3,(H,8,9)

InChIKey

KAPBHHXFLZBNTF-UHFFFAOYSA-N

Compound name

4-(2-methoxyethoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 162.0892 Da
Monoisotopic Mass: -0.2
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	134.5
[M+Na]+	185.07842	143.1
[M+NH4]+	180.12302	140.6
[M+K]+	201.05236	139.0
[M-H]-	161.08192	131.9
[M+Na-2H]-	183.06387	136.4
[M]+	162.08865	134.5
[M]-	162.08975	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe