CID 131631933

4-[(oxiran-2-yl)methyl]oxan-4-ol

Structural Information

Molecular Formula
C8H14O3
SMILES
C1COCCC1(CC2CO2)O
InChI
InChI=1S/C8H14O3/c9-8(5-7-6-11-7)1-3-10-4-2-8/h7,9H,1-6H2
InChIKey
KLRMJNVQRFMHEJ-UHFFFAOYSA-N
Compound name
4-(oxiran-2-ylmethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.9
[M+Na]+ 181.08352 140.1
[M-H]- 157.08702 140.1
[M+NH4]+ 176.12812 147.4
[M+K]+ 197.05746 142.1
[M+H-H2O]+ 141.09156 127.3
[M+HCOO]- 203.09250 150.6
[M+CH3COO]- 217.10815 174.8
[M+Na-2H]- 179.06897 141.7
[M]+ 158.09375 133.8
[M]- 158.09485 133.8
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.