CID 72207311

2-(oxetan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C5H8O2
SMILES
C1C(CO1)CC=O
InChI
InChI=1S/C5H8O2/c6-2-1-5-3-7-4-5/h2,5H,1,3-4H2
InChIKey
AIFBKSGZBRGQJE-UHFFFAOYSA-N
Compound name
2-(oxetan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 110.9
[M+Na]+ 123.041648 117.2
[M-H]- 99.045154 115.2
[M+NH4]+ 118.086253 126.4
[M+K]+ 139.015588 121.6
[M+H-H2O]+ 83.049690 101.6
[M+HCOO]- 145.050631 133.3
[M+CH3COO]- 159.066281 169.0
[M+Na-2H]- 121.027096 119.9
[M]+ 100.05188142 120.4
[M]- 100.05297858 120.4
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