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]+ 127.07536 121.5
[M+Na]+ 149.05730 131.9
[M-H]- 125.06080 124.3
[M+NH4]+ 144.10190 143.5
[M+K]+ 165.03124 130.0
[M+H-H2O]+ 109.06534 111.3
[M+HCOO]- 171.06628 138.8
[M+CH3COO]- 185.08193 177.6
[M+Na-2H]- 147.04275 128.3
[M]+ 126.06753 116.6
[M]- 126.06863 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.