CID 14167177

Tert-butyl 2,2-dimethyl-3-oxobutanoate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

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

InChI

InChI=1S/C10H18O3/c1-7(11)10(5,6)8(12)13-9(2,3)4/h1-6H3

InChIKey

WWYNTBCZPIPUDJ-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-dimethyl-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 186.1256 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]+	187.13288	140.4
[M+Na]+	209.11482	147.3
[M-H]-	185.11832	141.1
[M+NH4]+	204.15942	160.7
[M+K]+	225.08876	148.1
[M+H-H2O]+	169.12286	137.0
[M+HCOO]-	231.12380	159.2
[M+CH3COO]-	245.13945	184.4
[M+Na-2H]-	207.10027	145.1
[M]+	186.12505	144.0
[M]-	186.12615	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe