CID 11805072

5,5-dimethoxypentanoic acid

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

COC(CCCC(=O)O)OC

InChI

InChI=1S/C7H14O4/c1-10-7(11-2)5-3-4-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)

InChIKey

QFGMIDHGDONRJQ-UHFFFAOYSA-N

Compound name

5,5-dimethoxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 162.0892 Da
Monoisotopic Mass: 0.3
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	134.6
[M+Na]+	185.07842	142.9
[M+NH4]+	180.12302	140.6
[M+K]+	201.05236	139.7
[M-H]-	161.08192	131.9
[M+Na-2H]-	183.06387	136.2
[M]+	162.08865	134.5
[M]-	162.08975	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe