CID 28971948

5-(2-hydroxyethoxy)pentanoic acid

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

C(CCOCCO)CC(=O)O

InChI

InChI=1S/C7H14O4/c8-4-6-11-5-2-1-3-7(9)10/h8H,1-6H2,(H,9,10)

InChIKey

QKCNHWFZRJSXIP-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethoxy)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 162.0892 Da
Monoisotopic Mass: -0.4
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	143.0
[M+NH4]+	180.12302	140.7
[M+K]+	201.05236	139.3
[M-H]-	161.08192	131.9
[M+Na-2H]-	183.06387	136.2
[M]+	162.08865	134.7
[M]-	162.08975	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe