CID 23338574

[3-(methoxymethyl)oxetan-3-yl]methanol

Structural Information

Molecular Formula
C6H12O3
SMILES
COCC1(COC1)CO
InChI
InChI=1S/C6H12O3/c1-8-3-6(2-7)4-9-5-6/h7H,2-5H2,1H3
InChIKey
PFOWSDLDKYIRHI-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

132.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 122.2
[M+Na]+ 155.06786 128.0
[M-H]- 131.07136 125.3
[M+NH4]+ 150.11246 137.7
[M+K]+ 171.04180 132.3
[M+H-H2O]+ 115.07590 113.8
[M+HCOO]- 177.07684 142.7
[M+CH3COO]- 191.09249 171.7
[M+Na-2H]- 153.05331 131.0
[M]+ 132.07809 132.6
[M]- 132.07919 132.6
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