CID 5369190

Diisopropyl maleate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CC(C)OC(=O)/C=C\C(=O)OC(C)C

InChI

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

InChIKey

FNMTVMWFISHPEV-WAYWQWQTSA-N

Compound name

dipropan-2-yl (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4482
Patents: 200.10486 Da
Monoisotopic Mass: 1.8
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]+	201.11214	145.0
[M+Na]+	223.09408	150.8
[M-H]-	199.09758	145.1
[M+NH4]+	218.13868	164.2
[M+K]+	239.06802	151.5
[M+H-H2O]+	183.10212	140.0
[M+HCOO]-	245.10306	165.2
[M+CH3COO]-	259.11871	185.9
[M+Na-2H]-	221.07953	145.2
[M]+	200.10431	148.8
[M]-	200.10541	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe