CID 8080

3,4-dihydro-2h-pyran

Structural Information

Molecular Formula
C5H8O
SMILES
C1CC=COC1
InChI
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
InChIKey
BUDQDWGNQVEFAC-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

123
References

96431
Patents

84.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 112.3
[M+Na]+ 107.04674 118.4
[M-H]- 83.050244 116.1
[M+NH4]+ 102.09134 134.5
[M+K]+ 123.02068 119.7
[M+H-H2O]+ 67.054780 107.4
[M+HCOO]- 129.05572 134.7
[M+CH3COO]- 143.07137 160.8
[M+Na-2H]- 105.03219 122.6
[M]+ 84.056971 109.6
[M]- 84.058069 109.6
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