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

33
Patents

132.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 122.2
[M+Na]+ 155.067858 128.0
[M-H]- 131.071364 125.3
[M+NH4]+ 150.112463 137.7
[M+K]+ 171.041798 132.3
[M+H-H2O]+ 115.075900 113.8
[M+HCOO]- 177.076841 142.7
[M+CH3COO]- 191.092491 171.7
[M+Na-2H]- 153.053306 131.0
[M]+ 132.07809142 132.6
[M]- 132.07918858 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