CID 52911251

Methyl 3-cyclobutyl-3-oxopropanoate

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

COC(=O)CC(=O)C1CCC1

InChI

InChI=1S/C8H12O3/c1-11-8(10)5-7(9)6-3-2-4-6/h6H,2-5H2,1H3

InChIKey

VOLSRTAMKIBBTQ-UHFFFAOYSA-N

Compound name

methyl 3-cyclobutyl-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 156.07864 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]+	157.08592	135.0
[M+Na]+	179.06786	139.7
[M+NH4]+	174.11246	138.2
[M+K]+	195.04180	137.6
[M-H]-	155.07136	131.9
[M+Na-2H]-	177.05331	135.8
[M]+	156.07809	133.3
[M]-	156.07919	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe