CID 165693396

Methyl 3-ethynyloxolane-3-carboxylate

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)C1(CCOC1)C#C
InChI
InChI=1S/C8H10O3/c1-3-8(7(9)10-2)4-5-11-6-8/h1H,4-6H2,2H3
InChIKey
GHWJRZJXIYSIBD-UHFFFAOYSA-N
Compound name
methyl 3-ethynyloxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 129.5
[M+Na]+ 177.052208 139.5
[M-H]- 153.055714 132.3
[M+NH4]+ 172.096813 150.4
[M+K]+ 193.026148 137.7
[M+H-H2O]+ 137.060250 119.2
[M+HCOO]- 199.061191 145.9
[M+CH3COO]- 213.076841 181.4
[M+Na-2H]- 175.037656 134.6
[M]+ 154.06244142 124.9
[M]- 154.06353858 124.9
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.