CID 118086

14035-94-0

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(CCC(=O)OC)C(=O)OC

InChI

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

InChIKey

ZWKKRUNHAVNSFW-UHFFFAOYSA-N

Compound name

dimethyl 2-methylpentanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1366
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	138.0
[M+Na]+	197.07842	146.4
[M+NH4]+	192.12302	143.9
[M+K]+	213.05236	143.4
[M-H]-	173.08192	135.3
[M+Na-2H]-	195.06387	139.4
[M]+	174.08865	138.0
[M]-	174.08975	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe