CID 53346593

3-(hydroxymethyl)oxetan-3-ol

Structural Information

Molecular Formula
C4H8O3
SMILES
C1C(CO1)(CO)O
InChI
InChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2
InChIKey
TVRBHJADIOFJDI-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

104.04734 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.054616 114.7
[M+Na]+ 127.036558 120.9
[M-H]- 103.040064 116.7
[M+NH4]+ 122.081163 130.5
[M+K]+ 143.010498 124.7
[M+H-H2O]+ 87.044600 106.8
[M+HCOO]- 149.045541 134.3
[M+CH3COO]- 163.061191 163.3
[M+Na-2H]- 125.022006 123.9
[M]+ 104.04679142 122.5
[M]- 104.04788858 122.5
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