CID 5271567

Dipropyl maleate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCCOC(=O)/C=C\C(=O)OCCC

InChI

InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-

InChIKey

DSTWFRCNXMNXTR-WAYWQWQTSA-N

Compound name

dipropyl (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3773
Patents: 200.10486 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]+	201.11214	145.3
[M+Na]+	223.09408	151.5
[M-H]-	199.09758	145.2
[M+NH4]+	218.13868	164.6
[M+K]+	239.06802	151.3
[M+H-H2O]+	183.10212	140.0
[M+HCOO]-	245.10306	167.5
[M+CH3COO]-	259.11871	184.1
[M+Na-2H]-	221.07953	147.9
[M]+	200.10431	150.3
[M]-	200.10541	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe