CID 23183255

Tert-butyl ethylfumarate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

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

InChI

InChI=1S/C10H16O4/c1-5-6(8(11)12)7(9(13)14)10(2,3)4/h5H2,1-4H3,(H,11,12)(H,13,14)/b7-6-

InChIKey

WSKGNKIVFIWLJP-SREVYHEPSA-N

Compound name

(E)-2-tert-butyl-3-ethylbut-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	146.0
[M+Na]+	223.09408	152.3
[M+NH4]+	218.13868	150.2
[M+K]+	239.06802	151.4
[M-H]-	199.09758	141.0
[M+Na-2H]-	221.07953	145.2
[M]+	200.10431	144.9
[M]-	200.10541	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe