CID 132327511

3-[(oxiran-2-yl)methyl]oxolan-3-ol

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COCC1(CC2CO2)O
InChI
InChI=1S/C7H12O3/c8-7(1-2-9-5-7)3-6-4-10-6/h6,8H,1-5H2
InChIKey
MFOUOEDGJVAODX-UHFFFAOYSA-N
Compound name
3-(oxiran-2-ylmethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 126.4
[M+Na]+ 167.06786 134.9
[M-H]- 143.07136 133.9
[M+NH4]+ 162.11246 143.2
[M+K]+ 183.04180 136.5
[M+H-H2O]+ 127.07590 122.0
[M+HCOO]- 189.07684 146.3
[M+CH3COO]- 203.09249 171.6
[M+Na-2H]- 165.05331 134.7
[M]+ 144.07809 128.9
[M]- 144.07919 128.9
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

No patent data available for this compound.