CID 10986247

Tert-butyl 2-oxoacetate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-6(2,3)9-5(8)4-7/h4H,1-3H3

InChIKey

WDPZTIFGRQKSEN-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 436
Patents: 130.06299 Da
Monoisotopic Mass: 1.0
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]+	131.07027	124.2
[M+Na]+	153.05221	132.5
[M-H]-	129.05571	125.2
[M+NH4]+	148.09681	146.7
[M+K]+	169.02615	133.4
[M+H-H2O]+	113.06025	120.6
[M+HCOO]-	175.06119	146.8
[M+CH3COO]-	189.07684	171.0
[M+Na-2H]-	151.03766	131.1
[M]+	130.06244	127.3
[M]-	130.06354	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe