CID 122240140

3-(2-methylbut-3-yn-2-yl)oxolane

Structural Information

Molecular Formula
C9H14O
SMILES
CC(C)(C#C)C1CCOC1
InChI
InChI=1S/C9H14O/c1-4-9(2,3)8-5-6-10-7-8/h1,8H,5-7H2,2-3H3
InChIKey
VYTSSVNKQMJWQM-UHFFFAOYSA-N
Compound name
3-(2-methylbut-3-yn-2-yl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 130.4
[M+Na]+ 161.093678 139.3
[M-H]- 137.097184 132.8
[M+NH4]+ 156.138283 150.2
[M+K]+ 177.067618 137.5
[M+H-H2O]+ 121.101720 119.8
[M+HCOO]- 183.102661 145.3
[M+CH3COO]- 197.118311 181.9
[M+Na-2H]- 159.079126 135.5
[M]+ 138.10391142 124.0
[M]- 138.10500858 124.0
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.