CID 57228923

Butanoic acid, 4-(1-oxobutoxy)-

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CCCC(=O)OCCCC(=O)O

InChI

InChI=1S/C8H14O4/c1-2-4-8(11)12-6-3-5-7(9)10/h2-6H2,1H3,(H,9,10)

InChIKey

ZPQSIEHAZYDJOH-UHFFFAOYSA-N

Compound name

4-butanoyloxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 174.0892 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]+	175.09648	138.5
[M+Na]+	197.07842	146.6
[M+NH4]+	192.12302	144.1
[M+K]+	213.05236	143.1
[M-H]-	173.08192	135.4
[M+Na-2H]-	195.06387	139.6
[M]+	174.08865	138.3
[M]-	174.08975	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe