CID 134970

2-propylglutaric acid

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CCCC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)

InChIKey

IFNXFIJXYVEYLF-UHFFFAOYSA-N

Compound name

2-propylpentanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 251
Patents: 174.0892 Da
Monoisotopic Mass: 1.0
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	139.0
[M+Na]+	197.07842	146.2
[M+NH4]+	192.12302	144.0
[M+K]+	213.05236	143.7
[M-H]-	173.08192	135.1
[M+Na-2H]-	195.06387	139.1
[M]+	174.08865	138.3
[M]-	174.08975	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe