CID 10975414

2-ethynyl-1,3-dioxolane

Structural Information

Molecular Formula
C5H6O2
SMILES
C#CC1OCCO1
InChI
InChI=1S/C5H6O2/c1-2-5-6-3-4-7-5/h1,5H,3-4H2
InChIKey
HNDSRQBMXGQWTD-UHFFFAOYSA-N
Compound name
2-ethynyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

98.03678 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 111.4
[M+Na]+ 121.02600 121.5
[M-H]- 97.029504 114.3
[M+NH4]+ 116.07060 131.3
[M+K]+ 136.99994 121.5
[M+H-H2O]+ 81.034040 100.7
[M+HCOO]- 143.03498 128.3
[M+CH3COO]- 157.05063 172.6
[M+Na-2H]- 119.01145 119.1
[M]+ 98.036231 106.0
[M]- 98.037329 106.0
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