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]+ 139.11174 130.4
[M+Na]+ 161.09368 139.3
[M-H]- 137.09718 132.8
[M+NH4]+ 156.13828 150.2
[M+K]+ 177.06762 137.5
[M+H-H2O]+ 121.10172 119.8
[M+HCOO]- 183.10266 145.3
[M+CH3COO]- 197.11831 181.9
[M+Na-2H]- 159.07913 135.5
[M]+ 138.10391 124.0
[M]- 138.10501 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.