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: 780
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	106.1
[M+Na]+	109.025998	112.8
[M-H]-	85.029504	110.6
[M+NH4]+	104.070603	122.1
[M+K]+	124.999938	117.4
[M+H-H2O]+	69.034040	97.0
[M+HCOO]-	131.034981	128.8
[M+CH3COO]-	145.050631	166.0
[M+Na-2H]-	107.011446	115.7
[M]+	86.03623142	115.2
[M]-	86.03732858	115.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe