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

825
Patents

86.03678 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 106.1
[M+Na]+ 109.02600 112.8
[M-H]- 85.029504 110.6
[M+NH4]+ 104.07060 122.1
[M+K]+ 124.99994 117.4
[M+H-H2O]+ 69.034040 97.0
[M+HCOO]- 131.03498 128.8
[M+CH3COO]- 145.05063 166.0
[M+Na-2H]- 107.01145 115.7
[M]+ 86.036231 115.2
[M]- 86.037329 115.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe