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

23
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 119.3
[M+Na]+ 133.062384 128.7
[M-H]- 109.065890 121.7
[M+NH4]+ 128.106989 140.1
[M+K]+ 149.036324 126.9
[M+H-H2O]+ 93.070426 108.4
[M+HCOO]- 155.071367 136.3
[M+CH3COO]- 169.087017 176.2
[M+Na-2H]- 131.047832 125.0
[M]+ 110.07261742 112.8
[M]- 110.07371458 112.8
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