CID 4520841

869-09-0

Structural Information

Molecular Formula

C₇H₁₀Br₂O₄

SMILES

COC(=O)C(CC(C(=O)OC)Br)Br

InChI

InChI=1S/C7H10Br2O4/c1-12-6(10)4(8)3-5(9)7(11)13-2/h4-5H,3H2,1-2H3

InChIKey

ZBBXTTCCOXKVJB-UHFFFAOYSA-N

Compound name

dimethyl 2,4-dibromopentanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 315.8946 Da
Monoisotopic Mass: 2.0
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]+	316.90188	146.9
[M+Na]+	338.88382	139.5
[M+NH4]+	333.92842	147.2
[M+K]+	354.85776	148.1
[M-H]-	314.88732	144.8
[M+Na-2H]-	336.86927	145.6
[M]+	315.89405	143.8
[M]-	315.89515	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe