CID 12226109

57742-93-5

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CCOC(=O)C1(CCC1)C=O

InChI

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

InChIKey

HORWHQYLTMRHBX-UHFFFAOYSA-N

Compound name

ethyl 1-formylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
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]+	157.085916	131.3
[M+Na]+	179.067858	137.0
[M-H]-	155.071364	134.9
[M+NH4]+	174.112463	147.5
[M+K]+	195.041798	140.1
[M+H-H2O]+	139.075900	122.5
[M+HCOO]-	201.076841	152.8
[M+CH3COO]-	215.092491	178.6
[M+Na-2H]-	177.053306	137.0
[M]+	156.07809142	141.5
[M]-	156.07918858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe