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

42
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 110.9
[M+Na]+ 123.04165 117.2
[M-H]- 99.045154 115.2
[M+NH4]+ 118.08625 126.4
[M+K]+ 139.01559 121.6
[M+H-H2O]+ 83.049690 101.6
[M+HCOO]- 145.05063 133.3
[M+CH3COO]- 159.06628 169.0
[M+Na-2H]- 121.02710 119.9
[M]+ 100.05188 120.4
[M]- 100.05298 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