CID 54537138

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

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)(C#C)C1CCCOC1
InChI
InChI=1S/C10H16O/c1-4-10(2,3)9-6-5-7-11-8-9/h1,9H,5-8H2,2-3H3
InChIKey
OKOANUHKGBLAQR-UHFFFAOYSA-N
Compound name
3-(2-methylbut-3-yn-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.9
[M+Na]+ 175.10934 140.6
[M-H]- 151.11284 135.2
[M+NH4]+ 170.15394 150.7
[M+K]+ 191.08328 138.8
[M+H-H2O]+ 135.11738 122.1
[M+HCOO]- 197.11832 145.8
[M+CH3COO]- 211.13397 184.8
[M+Na-2H]- 173.09479 138.8
[M]+ 152.11957 125.1
[M]- 152.12067 125.1
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.