CID 5463127

Tert-butyl crotonate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5-6H,1-4H3/b6-5+

InChIKey

QHSPZGZEUDEIQM-AATRIKPKSA-N

Compound name

tert-butyl (E)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 705
Patents: 142.09938 Da
Monoisotopic Mass: 1.9
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]+	143.10666	132.2
[M+Na]+	165.08860	142.0
[M+NH4]+	160.13320	139.4
[M+K]+	181.06254	137.5
[M-H]-	141.09210	130.5
[M+Na-2H]-	163.07405	135.3
[M]+	142.09883	132.9
[M]-	142.09993	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe