CID 61287780

4-(oxiran-2-ylmethoxy)oxane

Structural Information

Molecular Formula
C8H14O3
SMILES
C1COCCC1OCC2CO2
InChI
InChI=1S/C8H14O3/c1-3-9-4-2-7(1)10-5-8-6-11-8/h7-8H,1-6H2
InChIKey
QXKMLCCQTVGXQI-UHFFFAOYSA-N
Compound name
4-(oxiran-2-ylmethoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 133.1
[M+Na]+ 181.08352 140.1
[M-H]- 157.08702 141.4
[M+NH4]+ 176.12812 146.4
[M+K]+ 197.05746 142.0
[M+H-H2O]+ 141.09156 126.3
[M+HCOO]- 203.09250 152.7
[M+CH3COO]- 217.10815 177.8
[M+Na-2H]- 179.06897 141.3
[M]+ 158.09375 135.3
[M]- 158.09485 135.3
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