CID 10261520

Tert-butyl 3-oxocyclobutanecarboxylate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC(C)(C)OC(=O)C1CC(=O)C1

InChI

InChI=1S/C9H14O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6H,4-5H2,1-3H3

InChIKey

JINYZTGTQXDUQR-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 320
Patents: 170.0943 Da
Monoisotopic Mass: 0.5
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]+	171.10158	138.8
[M+Na]+	193.08352	143.8
[M+NH4]+	188.12812	141.8
[M+K]+	209.05746	142.0
[M-H]-	169.08702	135.3
[M+Na-2H]-	191.06897	139.5
[M]+	170.09375	137.1
[M]-	170.09485	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe