CID 15724666

Cyclobutylidene-acetic acid ethyl ester

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CCOC(=O)C=C1CCC1

InChI

InChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3

InChIKey

FGCGWHVDPBOFJE-UHFFFAOYSA-N

Compound name

ethyl 2-cyclobutylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 140.08372 Da
Monoisotopic Mass: 1.4
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]+	141.090996	127.7
[M+Na]+	163.072938	132.9
[M-H]-	139.076444	131.0
[M+NH4]+	158.117543	142.8
[M+K]+	179.046878	135.4
[M+H-H2O]+	123.080980	117.8
[M+HCOO]-	185.081921	149.1
[M+CH3COO]-	199.097571	176.5
[M+Na-2H]-	161.058386	132.4
[M]+	140.08317142	136.2
[M]-	140.08426858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe