CID 43247827

4-propoxybutanoic acid

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCCOCCCC(=O)O

InChI

InChI=1S/C7H14O3/c1-2-5-10-6-3-4-7(8)9/h2-6H2,1H3,(H,8,9)

InChIKey

IWPPWTPACQFMLJ-UHFFFAOYSA-N

Compound name

4-propoxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 146.0943 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]+	147.10158	131.6
[M+Na]+	169.08352	140.7
[M+NH4]+	164.12812	138.3
[M+K]+	185.05746	136.1
[M-H]-	145.08702	129.6
[M+Na-2H]-	167.06897	134.0
[M]+	146.09375	131.9
[M]-	146.09485	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe