CID 13426039

7304-72-5

Structural Information

Molecular Formula

C₈H₁₃ClO₃

SMILES

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

InChI

InChI=1S/C8H13ClO3/c1-5(10)6(9)7(11)12-8(2,3)4/h6H,1-4H3

InChIKey

ZTHHPFWQCBJKDK-UHFFFAOYSA-N

Compound name

tert-butyl 2-chloro-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 192.05533 Da
Monoisotopic Mass: 1.7
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]+	193.06261	139.6
[M+Na]+	215.04455	149.0
[M+NH4]+	210.08915	146.1
[M+K]+	231.01849	145.9
[M-H]-	191.04805	136.9
[M+Na-2H]-	213.03000	141.7
[M]+	192.05478	140.2
[M]-	192.05588	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe