CID 101261102

2-ethynyl-3,4-dihydro-2h-pyran

Structural Information

Molecular Formula
C7H8O
SMILES
C#CC1CCC=CO1
InChI
InChI=1S/C7H8O/c1-2-7-5-3-4-6-8-7/h1,4,6-7H,3,5H2
InChIKey
LAPOLMWDRWXJHA-UHFFFAOYSA-N
Compound name
2-ethynyl-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

108.05752 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 117.3
[M+Na]+ 131.04674 126.7
[M-H]- 107.05024 119.9
[M+NH4]+ 126.09134 136.5
[M+K]+ 147.02068 124.9
[M+H-H2O]+ 91.054780 106.4
[M+HCOO]- 153.05572 133.7
[M+CH3COO]- 167.07137 176.0
[M+Na-2H]- 129.03219 125.1
[M]+ 108.05697 110.1
[M]- 108.05807 110.1
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

No patent data available for this compound.