CID 54696584

23670-45-3

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5,9H,1-4H3

InChIKey

VOZHKKAEVAPUTK-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 158.0943 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]+	159.10158	135.5
[M+Na]+	181.08352	143.9
[M+NH4]+	176.12812	141.6
[M+K]+	197.05746	141.1
[M-H]-	157.08702	132.4
[M+Na-2H]-	179.06897	137.1
[M]+	158.09375	135.5
[M]-	158.09485	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.