CID 11815817

3-methylideneoxolane

Structural Information

Molecular Formula
C5H8O
SMILES
C=C1CCOC1
InChI
InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2
InChIKey
TXBFKXDFIPFHAV-UHFFFAOYSA-N
Compound name
3-methylideneoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

84.05752 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 113.4
[M+Na]+ 107.04674 120.7
[M-H]- 83.050244 117.4
[M+NH4]+ 102.09134 137.6
[M+K]+ 123.02068 121.4
[M+H-H2O]+ 67.054780 109.1
[M+HCOO]- 129.05572 136.5
[M+CH3COO]- 143.07137 161.2
[M+Na-2H]- 105.03219 120.6
[M]+ 84.056971 111.0
[M]- 84.058069 111.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe