CID 165693396

2385855-85-4

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]+ 155.07027 129.5
[M+Na]+ 177.05221 139.5
[M-H]- 153.05571 132.3
[M+NH4]+ 172.09681 150.4
[M+K]+ 193.02615 137.7
[M+H-H2O]+ 137.06025 119.2
[M+HCOO]- 199.06119 145.9
[M+CH3COO]- 213.07684 181.4
[M+Na-2H]- 175.03766 134.6
[M]+ 154.06244 124.9
[M]- 154.06354 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.