CID 135392704

3-ethynyl-3-methoxyoxolane

Structural Information

Molecular Formula
C7H10O2
SMILES
COC1(CCOC1)C#C
InChI
InChI=1S/C7H10O2/c1-3-7(8-2)4-5-9-6-7/h1H,4-6H2,2H3
InChIKey
HJDVDCVHROWSEH-UHFFFAOYSA-N
Compound name
3-ethynyl-3-methoxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 121.5
[M+Na]+ 149.057298 131.9
[M-H]- 125.060804 124.3
[M+NH4]+ 144.101903 143.5
[M+K]+ 165.031238 130.0
[M+H-H2O]+ 109.065340 111.3
[M+HCOO]- 171.066281 138.8
[M+CH3COO]- 185.081931 177.6
[M+Na-2H]- 147.042746 128.3
[M]+ 126.06753142 116.6
[M]- 126.06862858 116.6
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

No patent data available for this compound.