CID 45480504

Methyl 2-cyclobutylideneacetate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

COC(=O)C=C1CCC1

InChI

InChI=1S/C7H10O2/c1-9-7(8)5-6-3-2-4-6/h5H,2-4H2,1H3

InChIKey

AXSGAQISQQNVKB-UHFFFAOYSA-N

Compound name

methyl 2-cyclobutylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 126.06808 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]+	127.07536	126.4
[M+Na]+	149.05730	132.2
[M+NH4]+	144.10190	130.5
[M+K]+	165.03124	129.0
[M-H]-	125.06080	124.1
[M+Na-2H]-	147.04275	128.4
[M]+	126.06753	125.1
[M]-	126.06863	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe