CID 87303552

2-(prop-2-yn-1-yl)oxolane

Structural Information

Molecular Formula
C7H10O
SMILES
C#CCC1CCCO1
InChI
InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h1,7H,3-6H2
InChIKey
HJIRCYNVOYQYPT-UHFFFAOYSA-N
Compound name
2-prop-2-ynyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 123.0
[M+Na]+ 133.06238 133.6
[M+NH4]+ 128.10699 128.6
[M+K]+ 149.03632 126.5
[M-H]- 109.06589 117.7
[M+Na-2H]- 131.04783 125.0
[M]+ 110.07262 122.1
[M]- 110.07371 122.1
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