CID 53346603

Oxetane-3-carbaldehyde

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1C(CO1)C=O

InChI

InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2

InChIKey

FYCBRGMZDWYEHI-UHFFFAOYSA-N

Compound name

oxetane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 682
Patents: 86.03678 Da
Monoisotopic Mass: -0.7
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]+	87.044056	110.8
[M+Na]+	109.02600	117.8
[M+NH4]+	104.07060	115.7
[M+K]+	124.99994	115.2
[M-H]-	85.029504	110.4
[M+Na-2H]-	107.01145	114.0
[M]+	86.036231	110.4
[M]-	86.037329	110.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe