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

53
Patents

104.04734 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 114.7
[M+Na]+ 127.03656 120.9
[M-H]- 103.04006 116.7
[M+NH4]+ 122.08116 130.5
[M+K]+ 143.01050 124.7
[M+H-H2O]+ 87.044600 106.8
[M+HCOO]- 149.04554 134.3
[M+CH3COO]- 163.06119 163.3
[M+Na-2H]- 125.02201 123.9
[M]+ 104.04679 122.5
[M]- 104.04789 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